4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide

C20H19N3O2 — CID 94463334

IUPAC4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)n(C)c1
InChIInChI=1S/C20H19N3O2/c1-14(24)16-12-18(23(2)13-16)20(25)22-19(15-8-4-3-5-9-15)17-10-6-7-11-21-17/h3-13,19H,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyDBMHREFTFKKFIA-IBGZPJMESA-N
MW333.39 g/mol
LogP3.14
Rot. Bonds5

About 4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide

4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide (PubChem CID 94463334) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide
PubChem CID94463334
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)n(C)c1
InChIInChI=1S/C20H19N3O2/c1-14(24)16-12-18(23(2)13-16)20(25)22-19(15-8-4-3-5-9-15)17-10-6-7-11-21-17/h3-13,19H,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyDBMHREFTFKKFIA-IBGZPJMESA-N
XLogP3.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide
CID 94618189
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 95145320
2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 78779504
4-acetyl-3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 36947323
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981
(2R)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 30064792

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide (CID 94463334) is 4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide is CC(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)n(C)c1.
What is the InChIKey of 4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is DBMHREFTFKKFIA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(24)16-12-18(23(2)13-16)20(25)22-19(15-8-4-3-5-9-15)17-10-6-7-11-21-17/h3-13,19H,1-2H3,(H,22,25)/t19-/m0/s1.
What are the key properties of 4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide?
4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 94463334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).