1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride

C19H27ClN8O4 — CID 142066065

IUPAC1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1C)NC1=NCCCN1.Cl
InChIInChI=1S/C19H26N8O4.ClH/c1-12(23-19-20-5-4-6-21-19)9-22-17(28)15-7-13(10-25(15)2)24-18(29)16-8-14(27(30)31)11-26(16)3;/h7-8,10-12H,4-6,9H2,1-3H3,(H,22,28)(H,24,29)(H2,20,21,23);1H
InChIKeyBWTBDUDAEODZRD-UHFFFAOYSA-N
MW466.93 g/mol
LogP1.00
Rot. Bonds7

About 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride

1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride (PubChem CID 142066065) has the molecular formula C19H27ClN8O4 and a molecular weight of 466.93 g/mol. Its IUPAC name is 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride
PubChem CID142066065
Molecular FormulaC19H27ClN8O4
Molecular Weight466.93 g/mol
Exact Mass466.18
IUPAC Name1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1C)NC1=NCCCN1.Cl
InChIInChI=1S/C19H26N8O4.ClH/c1-12(23-19-20-5-4-6-21-19)9-22-17(28)15-7-13(10-25(15)2)24-18(29)16-8-14(27(30)31)11-26(16)3;/h7-8,10-12H,4-6,9H2,1-3H3,(H,22,28)(H,24,29)(H2,20,21,23);1H
InChIKeyBWTBDUDAEODZRD-UHFFFAOYSA-N
XLogP1.00
TPSA147.62 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(carbamoylamino)ethyl]-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide
CID 142656951
copper;1-methyl-N-[3-[4-[3-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propylamino]butylamino]propyl]-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;chloride
CID 72714912
tert-butyl N-[2-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]ethyl]carbamate
CID 67389280
methyl 1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 59440204
4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methyl-N-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide
CID 10169480
diaminomethylidene-[1,1,2,2-tetradeuterio-2-[[1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]ethyl]azanium chloride
CID 11734229
N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoacetyl]pyrrole-2-carboxamide;hydrochloride
CID 10076179
N-(3-amino-3-iminopropyl)-1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide
CID 14039039
N-[3-(dimethylamino)propyl]-4-[[1-[2-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-nitropyrrol-1-yl]ethyl]-4-nitropyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide
CID 16726955
4-methyl-5-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pentanoic acid
CID 82684210
methyl 1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 170108124
4-[[1-(cyclopropylmethyl)-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide
CID 68679548

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride (CID 142066065) is 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride is CC(CNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1C)NC1=NCCCN1.Cl.
What is the InChIKey of 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride?
The InChIKey is BWTBDUDAEODZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O4.ClH/c1-12(23-19-20-5-4-6-21-19)9-22-17(28)15-7-13(10-25(15)2)24-18(29)16-8-14(27(30)31)11-26(16)3;/h7-8,10-12H,4-6,9H2,1-3H3,(H,22,28)(H,24,29)(H2,20,21,23);1H.
What are the key properties of 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride?
1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride has a molecular weight of 466.93 g/mol, XLogP of 1.00, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 142066065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).