4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride

C22H32Cl2N10O3 — CID 70120877

IUPAC4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride
SMILESCC(CNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(N)cn3C)cn2C)cn1C)/N=C/NN.Cl.Cl
InChIInChI=1S/C22H30N10O3.2ClH/c1-13(26-12-27-24)8-25-20(33)18-6-15(10-31(18)3)29-22(35)19-7-16(11-32(19)4)28-21(34)17-5-14(23)9-30(17)2;;/h5-7,9-13H,8,23-24H2,1-4H3,(H,25,33)(H,26,27)(H,28,34)(H,29,35);2*1H
InChIKeyMKFHJRYTGBXNBR-UHFFFAOYSA-N
MW555.47 g/mol
LogP1.24
Rot. Bonds9

About 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride

4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride (PubChem CID 70120877) has the molecular formula C22H32Cl2N10O3 and a molecular weight of 555.47 g/mol. Its IUPAC name is 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride
PubChem CID70120877
Molecular FormulaC22H32Cl2N10O3
Molecular Weight555.47 g/mol
Exact Mass554.20
IUPAC Name4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride
SMILESCC(CNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(N)cn3C)cn2C)cn1C)/N=C/NN.Cl.Cl
InChIInChI=1S/C22H30N10O3.2ClH/c1-13(26-12-27-24)8-25-20(33)18-6-15(10-31(18)3)29-22(35)19-7-16(11-32(19)4)28-21(34)17-5-14(23)9-30(17)2;;/h5-7,9-13H,8,23-24H2,1-4H3,(H,25,33)(H,26,27)(H,28,34)(H,29,35);2*1H
InChIKeyMKFHJRYTGBXNBR-UHFFFAOYSA-N
XLogP1.24
TPSA178.52 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.47
LogP ≤ 51.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 70120878
4-amino-N-[5-[[5-[2-(diaminomethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 70120880
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
4-amino-N-[5-[[5-[2-(carbamoylamino)ethylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 142066067
4-amino-1-methyl-N-[1-methyl-5-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 70120898
4-amino-N-[5-[[5-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride
CID 142066068
4-amino-N-[5-[2-[[amino-(hydroxyamino)methylidene]amino]ethylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 142656969
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-N-[5-(3-iminobutylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 58831529
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
CID 43643735
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride?
The IUPAC name of 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride (CID 70120877) is 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride is CC(CNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(N)cn3C)cn2C)cn1C)/N=C/NN.Cl.Cl.
What is the InChIKey of 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride?
The InChIKey is MKFHJRYTGBXNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N10O3.2ClH/c1-13(26-12-27-24)8-25-20(33)18-6-15(10-31(18)3)29-22(35)19-7-16(11-32(19)4)28-21(34)17-5-14(23)9-30(17)2;;/h5-7,9-13H,8,23-24H2,1-4H3,(H,25,33)(H,26,27)(H,28,34)(H,29,35);2*1H.
What are the key properties of 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride?
4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride has a molecular weight of 555.47 g/mol, XLogP of 1.24, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[[5-[2-(hydrazinylmethylideneamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 70120877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).