2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C23H31N3O3 — CID 140525703

IUPAC2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c([C@@H](CO)CC(C)C)nc2N2CCCC2)cc1
InChIInChI=1S/C23H31N3O3/c1-15(2)12-17(14-27)21-20(22(24)28)13-19(16-6-8-18(29-3)9-7-16)23(25-21)26-10-4-5-11-26/h6-9,13,15,17,27H,4-5,10-12,14H2,1-3H3,(H2,24,28)/t17-/m1/s1
InChIKeyQPTIMNANVPGUKS-QGZVFWFLSA-N
MW397.52 g/mol
LogP3.58
Rot. Bonds8

About 2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 140525703) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID140525703
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c([C@@H](CO)CC(C)C)nc2N2CCCC2)cc1
InChIInChI=1S/C23H31N3O3/c1-15(2)12-17(14-27)21-20(22(24)28)13-19(16-6-8-18(29-3)9-7-16)23(25-21)26-10-4-5-11-26/h6-9,13,15,17,27H,4-5,10-12,14H2,1-3H3,(H2,24,28)/t17-/m1/s1
InChIKeyQPTIMNANVPGUKS-QGZVFWFLSA-N
XLogP3.58
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide with MolForge

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Related Compounds

ethyl 2-(4-methoxyphenyl)-4-piperidin-1-ylbenzoate
CID 139893198
diethyl 5-(4-methoxyphenyl)-3-piperidin-1-ylbenzene-1,2-dicarboxylate
CID 122389685
2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 141315242
5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
CID 139598398
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 59993380
2-bromo-3,5-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 142726441
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926
3-[4-[4-methoxy-2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2-oxazole-5-carboxamide
CID 68866081
N-(1-hydroxypentan-2-yl)-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135108263
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 140525703) is 2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is COc1ccc(-c2cc(C(N)=O)c([C@@H](CO)CC(C)C)nc2N2CCCC2)cc1.
What is the InChIKey of 2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is QPTIMNANVPGUKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-15(2)12-17(14-27)21-20(22(24)28)13-19(16-6-8-18(29-3)9-7-16)23(25-21)26-10-4-5-11-26/h6-9,13,15,17,27H,4-5,10-12,14H2,1-3H3,(H2,24,28)/t17-/m1/s1.
What are the key properties of 2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 140525703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).