N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide

C27H34N4O2 — CID 67261886

IUPACN,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](CCNC(=O)c2cccn2C)Cc2ccccc2)cc(C(C)C)n1
InChIInChI=1S/C27H34N4O2/c1-19(2)24-18-22(16-20(3)29-24)27(33)31(5)23(17-21-10-7-6-8-11-21)13-14-28-26(32)25-12-9-15-30(25)4/h6-12,15-16,18-19,23H,13-14,17H2,1-5H3,(H,28,32)/t23-/m1/s1
InChIKeyQHAZBYJRZWGDGK-HSZRJFAPSA-N
MW446.60 g/mol
LogP4.36
Rot. Bonds9

About N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide

N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 67261886) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide
PubChem CID67261886
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](CCNC(=O)c2cccn2C)Cc2ccccc2)cc(C(C)C)n1
InChIInChI=1S/C27H34N4O2/c1-19(2)24-18-22(16-20(3)29-24)27(33)31(5)23(17-21-10-7-6-8-11-21)13-14-28-26(32)25-12-9-15-30(25)4/h6-12,15-16,18-19,23H,13-14,17H2,1-5H3,(H,28,32)/t23-/m1/s1
InChIKeyQHAZBYJRZWGDGK-HSZRJFAPSA-N
XLogP4.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-ethoxy-N,6-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-4-carboxamide
CID 67246696
N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67247486
N,2,4-trimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67262252
4,6-dichloro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87324298
4,6-dichloro-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87329161
6-methoxy-N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67247731
3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 67261664
N-[3-[1,3-benzodioxole-5-carbonyl(methyl)amino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 46864581
N,2,5-trimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-3-carboxamide
CID 67260802
N-[3-[(3-imidazol-1-ylbenzoyl)-methylamino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 67246740
N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,6-naphthyridine-3-carboxamide
CID 67261697
N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide
CID 53250073

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide (CID 67261886) is N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide is Cc1cc(C(=O)N(C)[C@H](CCNC(=O)c2cccn2C)Cc2ccccc2)cc(C(C)C)n1.
What is the InChIKey of N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is QHAZBYJRZWGDGK-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-19(2)24-18-22(16-20(3)29-24)27(33)31(5)23(17-21-10-7-6-8-11-21)13-14-28-26(32)25-12-9-15-30(25)4/h6-12,15-16,18-19,23H,13-14,17H2,1-5H3,(H,28,32)/t23-/m1/s1.
What are the key properties of N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide?
N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 67261886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).