4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine

C50H79N17O10 — CID 156823800

IUPAC4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine
SMILESC=N/C(=C\N(C)CC=O)NC(=O)CCNC=O.CCCNC(=O)c1cc(NC)cn1C.CNCCC=O.CNc1cc(C)n(C)c1.COC.Cn1cc(NC(=O)c2nc(NC=O)cn2C)cc1C=O.Cn1ccnc1C=O
InChIInChI=1S/C12H13N5O3.C10H16N4O3.C10H17N3O.C7H12N2.C5H6N2O.C4H9NO.C2H6O/c1-16-4-8(3-9(16)6-18)14-12(20)11-15-10(13-7-19)5-17(11)2;1-11-9(7-14(2)5-6-15)13-10(17)3-4-12-8-16;1-4-5-12-10(14)9-6-8(11-2)7-13(9)3;1-6-4-7(8-2)5-9(6)3;1-7-3-2-6-5(7)4-8;1-5-3-2-4-6;1-3-2/h3-7H,1-2H3,(H,13,19)(H,14,20);6-8H,1,3-5H2,2H3,(H,12,16)(H,13,17);6-7,11H,4-5H2,1-3H3,(H,12,14);4-5,8H,1-3H3;2-4H,1H3;4-5H,2-3H2,1H3;1-2H3/b;9-7+;;;;;
InChIKeyXKLZURILVNKOFF-CIHBSRHPSA-N
MW1078.29 g/mol
LogP2.13
Rot. Bonds23

About 4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine

4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine (PubChem CID 156823800) has the molecular formula C50H79N17O10 and a molecular weight of 1078.29 g/mol. Its IUPAC name is 4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine.

Molecular Properties

Compound Name4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine
PubChem CID156823800
Molecular FormulaC50H79N17O10
Molecular Weight1078.29 g/mol
Exact Mass1077.62
IUPAC Name4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine
SMILESC=N/C(=C\N(C)CC=O)NC(=O)CCNC=O.CCCNC(=O)c1cc(NC)cn1C.CNCCC=O.CNc1cc(C)n(C)c1.COC.Cn1cc(NC(=O)c2nc(NC=O)cn2C)cc1C=O.Cn1ccnc1C=O
InChIInChI=1S/C12H13N5O3.C10H16N4O3.C10H17N3O.C7H12N2.C5H6N2O.C4H9NO.C2H6O/c1-16-4-8(3-9(16)6-18)14-12(20)11-15-10(13-7-19)5-17(11)2;1-11-9(7-14(2)5-6-15)13-10(17)3-4-12-8-16;1-4-5-12-10(14)9-6-8(11-2)7-13(9)3;1-6-4-7(8-2)5-9(6)3;1-7-3-2-6-5(7)4-8;1-5-3-2-4-6;1-3-2/h3-7H,1-2H3,(H,13,19)(H,14,20);6-8H,1,3-5H2,2H3,(H,12,16)(H,13,17);6-7,11H,4-5H2,1-3H3,(H,12,14);4-5,8H,1-3H3;2-4H,1H3;4-5H,2-3H2,1H3;1-2H3/b;9-7+;;;;;
InChIKeyXKLZURILVNKOFF-CIHBSRHPSA-N
XLogP2.13
TPSA325.13 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001078.29
LogP ≤ 52.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]-1-methyl-4-[3-[[1-methyl-4-(methylamino)pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carboxamide;N-[3-[(1,5-dimethylpyrrol-3-yl)amino]-3-oxopropyl]-4-formamido-1-methylimidazole-2-carboxamide;ethane;ethyl 4-formamido-1-methylimidazole-2-carboxylate;methanol;1-methylimidazole-2-carbaldehyde
CID 170622944
4-(4-amino-2-methylbutan-2-yl)oxy-N-[3-[3-(3-formamidopropanoylamino)propyl-methylamino]propyl]-2,2-dimethylbutanamide;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)imidazole-2-carbaldehyde;1-methyl-4-(methylamino)pyrrole-2-carbaldehyde;3-[1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethenylamino]propanal;N,1,2-trimethylimidazol-4-amine
CID 172574651
methyl 1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 163403961
N-[5-[[5-[3-[3-[8-(1,3-dioxobenzo[de]isoquinolin-2-yl)octanoylamino]propyl-methylamino]propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide
CID 25099124
1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carboxylic acid
CID 168980334
N-[3-[[5-[[2-[[3-(ethylamino)-3-oxopropyl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-oxopropyl]-1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]butanoylamino]imidazole-2-carboxamide
CID 170622994
N-[2-[[4-[[5-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-methylimidazol-4-yl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide
CID 177425627
dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]butanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]propyl]azanium
CID 23553619
ethyl 3-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]butanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylsulfanyl]propanoate
CID 177459089
ethyl 1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[[1-methyl-4-[3-[(1-methylpyrrole-2-carbonyl)amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propanoylamino]imidazole-2-carboxylate
CID 163403880
tert-butyl N-[1-methyl-2-[[1-methyl-5-[[3-[[1-methyl-2-[[1-methyl-5-[[3-[[1-methyl-2-(propylcarbamoyl)imidazol-4-yl]amino]-3-oxopropyl]carbamoyl]pyrrol-3-yl]carbamoyl]imidazol-4-yl]amino]-3-oxopropyl]carbamoyl]pyrrol-3-yl]carbamoyl]imidazol-4-yl]carbamate
CID 166694349
tert-butyl N-[1-methyl-2-[[1-methyl-5-[[3-[[1-methyl-2-(propylcarbamoyl)imidazol-4-yl]amino]-3-oxopropyl]carbamoyl]pyrrol-3-yl]carbamoyl]imidazol-4-yl]carbamate
CID 175402456

Frequently Asked Questions

What is the IUPAC name of 4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine?
The IUPAC name of 4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine (CID 156823800) is 4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine.
What is the SMILES notation for 4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine?
The canonical SMILES for 4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine is C=N/C(=C\N(C)CC=O)NC(=O)CCNC=O.CCCNC(=O)c1cc(NC)cn1C.CNCCC=O.CNc1cc(C)n(C)c1.COC.Cn1cc(NC(=O)c2nc(NC=O)cn2C)cc1C=O.Cn1ccnc1C=O.
What is the InChIKey of 4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine?
The InChIKey is XKLZURILVNKOFF-CIHBSRHPSA-N. The full InChI is InChI=1S/C12H13N5O3.C10H16N4O3.C10H17N3O.C7H12N2.C5H6N2O.C4H9NO.C2H6O/c1-16-4-8(3-9(16)6-18)14-12(20)11-15-10(13-7-19)5-17(11)2;1-11-9(7-14(2)5-6-15)13-10(17)3-4-12-8-16;1-4-5-12-10(14)9-6-8(11-2)7-13(9)3;1-6-4-7(8-2)5-9(6)3;1-7-3-2-6-5(7)4-8;1-5-3-2-4-6;1-3-2/h3-7H,1-2H3,(H,13,19)(H,14,20);6-8H,1,3-5H2,2H3,(H,12,16)(H,13,17);6-7,11H,4-5H2,1-3H3,(H,12,14);4-5,8H,1-3H3;2-4H,1H3;4-5H,2-3H2,1H3;1-2H3/b;9-7+;;;;;.
What are the key properties of 4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine?
4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine has a molecular weight of 1078.29 g/mol, XLogP of 2.13, 23 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-N-(5-formyl-1-methylpyrrol-3-yl)-1-methylimidazole-2-carboxamide;3-formamido-N-[(Z)-1-(methylideneamino)-2-[methyl(2-oxoethyl)amino]ethenyl]propanamide;methoxymethane;3-(methylamino)propanal;1-methylimidazole-2-carbaldehyde;1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide;N,1,5-trimethylpyrrol-3-amine is sourced from PubChem (CID 156823800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).