(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide

C19H21N3O2 — CID 30785844

IUPAC(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccncc3)CC2=O)c1
InChIInChI=1S/C19H21N3O2/c1-13(2)14-4-3-5-17(10-14)22-12-15(11-18(22)23)19(24)21-16-6-8-20-9-7-16/h3-10,13,15H,11-12H2,1-2H3,(H,20,21,24)/t15-/m0/s1
InChIKeyWUFMATKQZMFRHR-HNNXBMFYSA-N
MW323.40 g/mol
LogP3.20
Rot. Bonds4

About (3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide

(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide (PubChem CID 30785844) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
PubChem CID30785844
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccncc3)CC2=O)c1
InChIInChI=1S/C19H21N3O2/c1-13(2)14-4-3-5-17(10-14)22-12-15(11-18(22)23)19(24)21-16-6-8-20-9-7-16/h3-10,13,15H,11-12H2,1-2H3,(H,20,21,24)/t15-/m0/s1
InChIKeyWUFMATKQZMFRHR-HNNXBMFYSA-N
XLogP3.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 92898745
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55711817
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43054423
(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 92898741
N-(6-methyl-2-pyridinyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947153
N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947590
N-(3-acetamido-2-methylphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947581
N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947127
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42999603
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 6462969

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide (CID 30785844) is (3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide is CC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccncc3)CC2=O)c1.
What is the InChIKey of (3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is WUFMATKQZMFRHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(2)14-4-3-5-17(10-14)22-12-15(11-18(22)23)19(24)21-16-6-8-20-9-7-16/h3-10,13,15H,11-12H2,1-2H3,(H,20,21,24)/t15-/m0/s1.
What are the key properties of (3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide?
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 30785844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).