(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide

C20H23N3O2 — CID 125140399

IUPAC(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide
SMILESCc1ccc([C@@H](NC(=O)[C@H]2CCCCC(=O)N2)c2ccccn2)cc1
InChIInChI=1S/C20H23N3O2/c1-14-9-11-15(12-10-14)19(16-6-4-5-13-21-16)23-20(25)17-7-2-3-8-18(24)22-17/h4-6,9-13,17,19H,2-3,7-8H2,1H3,(H,22,24)(H,23,25)/t17-,19-/m1/s1
InChIKeyQOMDHFPBVXSPJS-IEBWSBKVSA-N
MW337.42 g/mol
LogP2.65
Rot. Bonds4

About (2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide

(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide (PubChem CID 125140399) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide
PubChem CID125140399
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide
SMILESCc1ccc([C@@H](NC(=O)[C@H]2CCCCC(=O)N2)c2ccccn2)cc1
InChIInChI=1S/C20H23N3O2/c1-14-9-11-15(12-10-14)19(16-6-4-5-13-21-16)23-20(25)17-7-2-3-8-18(24)22-17/h4-6,9-13,17,19H,2-3,7-8H2,1H3,(H,22,24)(H,23,25)/t17-,19-/m1/s1
InChIKeyQOMDHFPBVXSPJS-IEBWSBKVSA-N
XLogP2.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
CID 125140349
(2R)-N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-6-oxopiperidine-2-carboxamide
CID 125140347
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
2-oxo-N-[phenyl(pyridin-2-yl)methyl]imidazolidine-4-carboxamide
CID 167790880
4-methyl-N-[(4-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 145107639
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 51152076
N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide
CID 126799110
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 103813258
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
(2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146129699
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 75371335

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide?
The IUPAC name of (2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide (CID 125140399) is (2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide?
The canonical SMILES for (2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide is Cc1ccc([C@@H](NC(=O)[C@H]2CCCCC(=O)N2)c2ccccn2)cc1.
What is the InChIKey of (2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide?
The InChIKey is QOMDHFPBVXSPJS-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-9-11-15(12-10-14)19(16-6-4-5-13-21-16)23-20(25)17-7-2-3-8-18(24)22-17/h4-6,9-13,17,19H,2-3,7-8H2,1H3,(H,22,24)(H,23,25)/t17-,19-/m1/s1.
What are the key properties of (2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide?
(2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(R)-(4-methylphenyl)-pyridin-2-ylmethyl]-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 125140399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).