(2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide

C20H21N5O — CID 124615062

IUPAC(2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1-c1ccncc1)N1CCC[C@H]1Cn1ccnc1
InChIInChI=1S/C20H21N5O/c26-20(25-12-3-4-17(25)14-24-13-11-22-15-24)23-19-6-2-1-5-18(19)16-7-9-21-10-8-16/h1-2,5-11,13,15,17H,3-4,12,14H2,(H,23,26)/t17-/m0/s1
InChIKeyPWHUJOANEDYSAU-KRWDZBQOSA-N
MW347.42 g/mol
LogP3.64
Rot. Bonds4

About (2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide

(2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 124615062) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID124615062
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1-c1ccncc1)N1CCC[C@H]1Cn1ccnc1
InChIInChI=1S/C20H21N5O/c26-20(25-12-3-4-17(25)14-24-13-11-22-15-24)23-19-6-2-1-5-18(19)16-7-9-21-10-8-16/h1-2,5-11,13,15,17H,3-4,12,14H2,(H,23,26)/t17-/m0/s1
InChIKeyPWHUJOANEDYSAU-KRWDZBQOSA-N
XLogP3.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
(2S)-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124568548
2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide
CID 91650901
methyl 2-[6-[[(2S)-2-(imidazol-1-ylmethyl)pyrrolidine-1-carbonyl]amino]-2-pyridinyl]acetate
CID 124622664
(2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 99710686
1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704922
(2R)-N-[(4-chloro-2-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124619820
(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 95728140
(2S)-N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95716356
N-(2-chloro-6-methylphenyl)-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 56902565
2-(pyrazol-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 118771911
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide (CID 124615062) is (2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide is O=C(Nc1ccccc1-c1ccncc1)N1CCC[C@H]1Cn1ccnc1.
What is the InChIKey of (2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is PWHUJOANEDYSAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(25-12-3-4-17(25)14-24-13-11-22-15-24)23-19-6-2-1-5-18(19)16-7-9-21-10-8-16/h1-2,5-11,13,15,17H,3-4,12,14H2,(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide?
(2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124615062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).