N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

C28H30N4O2 — CID 44578672

IUPACN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C28H30N4O2/c1-19-4-11-24(31-28(34)23-12-13-29-26(16-23)32-14-2-3-15-32)17-25(19)21-7-9-22(10-8-21)27(33)30-18-20-5-6-20/h4,7-13,16-17,20H,2-3,5-6,14-15,18H2,1H3,(H,30,33)(H,31,34)
InChIKeyCZXAZXLPPWLLGJ-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.05
Rot. Bonds7

About N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 44578672) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID44578672
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC NameN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C28H30N4O2/c1-19-4-11-24(31-28(34)23-12-13-29-26(16-23)32-14-2-3-15-32)17-25(19)21-7-9-22(10-8-21)27(33)30-18-20-5-6-20/h4,7-13,16-17,20H,2-3,5-6,14-15,18H2,1H3,(H,30,33)(H,31,34)
InChIKeyCZXAZXLPPWLLGJ-UHFFFAOYSA-N
XLogP5.05
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 44578672) is N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is CZXAZXLPPWLLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-19-4-11-24(31-28(34)23-12-13-29-26(16-23)32-14-2-3-15-32)17-25(19)21-7-9-22(10-8-21)27(33)30-18-20-5-6-20/h4,7-13,16-17,20H,2-3,5-6,14-15,18H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 44578672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).