N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

C27H34N6O2 — CID 75656234

IUPACN-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2c2cccn2C)cc1NC(=O)N1CCCC1c1cccn1C
InChIInChI=1S/C27H34N6O2/c1-19-12-13-20(28-26(34)32-16-6-10-24(32)22-8-4-14-30(22)2)18-21(19)29-27(35)33-17-7-11-25(33)23-9-5-15-31(23)3/h4-5,8-9,12-15,18,24-25H,6-7,10-11,16-17H2,1-3H3,(H,28,34)(H,29,35)
InChIKeyVCZUKMSFUQEZOY-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.41
Rot. Bonds4

About N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 75656234) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID75656234
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2c2cccn2C)cc1NC(=O)N1CCCC1c1cccn1C
InChIInChI=1S/C27H34N6O2/c1-19-12-13-20(28-26(34)32-16-6-10-24(32)22-8-4-14-30(22)2)18-21(19)29-27(35)33-17-7-11-25(33)23-9-5-15-31(23)3/h4-5,8-9,12-15,18,24-25H,6-7,10-11,16-17H2,1-3H3,(H,28,34)(H,29,35)
InChIKeyVCZUKMSFUQEZOY-UHFFFAOYSA-N
XLogP5.41
TPSA74.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-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

(2R)-N-(6-methoxy-3-pyridinyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 94818646
(2S)-N-(2-methoxy-4-methylsulfanylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 129402238
(2R)-N-(2-methoxy-4-methylsulfanylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 129402239
2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 51082269
(2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 124628090
(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95150749
N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 24664542
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 71937782
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
(2S)-2-[(N-methylanilino)methyl]-N-[2-methyl-5-(propanoylamino)phenyl]pyrrolidine-1-carboxamide
CID 52525145

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (CID 75656234) is N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC2c2cccn2C)cc1NC(=O)N1CCCC1c1cccn1C.
What is the InChIKey of N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is VCZUKMSFUQEZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-19-12-13-20(28-26(34)32-16-6-10-24(32)22-8-4-14-30(22)2)18-21(19)29-27(35)33-17-7-11-25(33)23-9-5-15-31(23)3/h4-5,8-9,12-15,18,24-25H,6-7,10-11,16-17H2,1-3H3,(H,28,34)(H,29,35).
What are the key properties of N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75656234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).