N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide

C32H36N8O4 — CID 170326154

IUPACN-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide
SMILESCC/N=C(\N)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc(OC)cc4)nc3)cn2C)cn1C
InChIInChI=1S/C32H36N8O4/c1-5-34-29(33)14-15-35-31(42)27-16-25(20-39(27)2)38-32(43)28-17-24(19-40(28)3)37-30(41)22-9-11-23(36-18-22)10-6-21-7-12-26(44-4)13-8-21/h6-13,16-20H,5,14-15H2,1-4H3,(H2,33,34)(H,35,42)(H,37,41)(H,38,43)/b10-6+
InChIKeyBMOVGVOICKMKLO-UXBLZVDNSA-N
MW596.69 g/mol
LogP3.94
Rot. Bonds12

About N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide

N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide (PubChem CID 170326154) has the molecular formula C32H36N8O4 and a molecular weight of 596.69 g/mol. Its IUPAC name is N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide
PubChem CID170326154
Molecular FormulaC32H36N8O4
Molecular Weight596.69 g/mol
Exact Mass596.29
IUPAC NameN-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide
SMILESCC/N=C(\N)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc(OC)cc4)nc3)cn2C)cn1C
InChIInChI=1S/C32H36N8O4/c1-5-34-29(33)14-15-35-31(42)27-16-25(20-39(27)2)38-32(43)28-17-24(19-40(28)3)37-30(41)22-9-11-23(36-18-22)10-6-21-7-12-26(44-4)13-8-21/h6-13,16-20H,5,14-15H2,1-4H3,(H2,33,34)(H,35,42)(H,37,41)(H,38,43)/b10-6+
InChIKeyBMOVGVOICKMKLO-UXBLZVDNSA-N
XLogP3.94
TPSA157.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.69
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide 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-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide
CID 171319393
6-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-[(2-morpholin-4-ylethylamino)methyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide
CID 77277573
N-[5-[[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide;sulfuric acid
CID 155540227
N-[5-[[3-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylimino]propyl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[4-[2-(2,1,3-benzoxadiazol-5-yl)ethenyl]benzoyl]amino]-1-methylpyrrole-2-carboxamide
CID 175959468
2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide
CID 67392648
N-[5-[[3-amino-3-[3-(dimethylamino)propylimino]propyl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[4-[2-(2,1,3-benzoxadiazol-5-yl)ethenyl]benzoyl]amino]-1-methylpyrrole-2-carboxamide
CID 170326114
N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[4-[(E)-2-(3-methoxyphenyl)ethenyl]benzoyl]amino]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155545595
N-[5-[[3-(butylamino)-3-butyliminopropyl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide
CID 170326163
N-(5-amino-5-iminopentyl)-1-methyl-4-(methylamino)pyrrole-2-carboxamide;6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-(5-formyl-1-methylpyrrol-3-yl)pyridine-3-carboxamide
CID 170575781
N-[5-[[3-amino-3-[2-(oxan-4-yl)ethylimino]propyl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[4-[(E)-2-(2,1,3-benzoxadiazol-5-yl)ethenyl]benzoyl]amino]-1-methylpyrrole-2-carboxamide
CID 170325997
N-[5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1-methylpyrrol-3-yl]-4-[[4-[(E)-2-(4-methoxyphenyl)ethenyl]benzoyl]amino]-1-methylpyrrole-2-carboxamide
CID 155557108
N-[5-[(6-amino-6-iminohexyl)carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide
CID 170326031

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide (CID 170326154) is N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide is CC/N=C(\N)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc(OC)cc4)nc3)cn2C)cn1C.
What is the InChIKey of N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide?
The InChIKey is BMOVGVOICKMKLO-UXBLZVDNSA-N. The full InChI is InChI=1S/C32H36N8O4/c1-5-34-29(33)14-15-35-31(42)27-16-25(20-39(27)2)38-32(43)28-17-24(19-40(28)3)37-30(41)22-9-11-23(36-18-22)10-6-21-7-12-26(44-4)13-8-21/h6-13,16-20H,5,14-15H2,1-4H3,(H2,33,34)(H,35,42)(H,37,41)(H,38,43)/b10-6+.
What are the key properties of N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide?
N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide has a molecular weight of 596.69 g/mol, XLogP of 3.94, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-[(3-amino-3-ethyliminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide is sourced from PubChem (CID 170326154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).