(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide

C18H25N3O3 — CID 51951158

IUPAC(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)cn1
InChIInChI=1S/C18H25N3O3/c1-24-16-10-9-14(12-19-16)20-17(22)15-8-5-11-21(15)18(23)13-6-3-2-4-7-13/h9-10,12-13,15H,2-8,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyDYBRCKONRJUQNC-HNNXBMFYSA-N
MW331.42 g/mol
LogP2.60
Rot. Bonds4

About (2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide

(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 51951158) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID51951158
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)cn1
InChIInChI=1S/C18H25N3O3/c1-24-16-10-9-14(12-19-16)20-17(22)15-8-5-11-21(15)18(23)13-6-3-2-4-7-13/h9-10,12-13,15H,2-8,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyDYBRCKONRJUQNC-HNNXBMFYSA-N
XLogP2.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 35702321
(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39898332
1-(cyclohexanecarbonyl)-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 55762135
(2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 52512688
(2R)-N-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 40645847
tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
CID 162353607
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 34970341
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55761391
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide (CID 51951158) is (2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)cn1.
What is the InChIKey of (2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is DYBRCKONRJUQNC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-16-10-9-14(12-19-16)20-17(22)15-8-5-11-21(15)18(23)13-6-3-2-4-7-13/h9-10,12-13,15H,2-8,11H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51951158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).