2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide

C21H27N3O2 — CID 125161673

IUPAC2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CN2CCCCCC2)c2ccncc2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-19-8-6-17(7-9-19)21(18-10-12-22-13-11-18)23-20(25)16-24-14-4-2-3-5-15-24/h6-13,21H,2-5,14-16H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyVTBPJMHYGPQMIK-OAQYLSRUSA-N
MW353.47 g/mol
LogP3.17
Rot. Bonds6

About 2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide

2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide (PubChem CID 125161673) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
PubChem CID125161673
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CN2CCCCCC2)c2ccncc2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-19-8-6-17(7-9-19)21(18-10-12-22-13-11-18)23-20(25)16-24-14-4-2-3-5-15-24/h6-13,21H,2-5,14-16H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyVTBPJMHYGPQMIK-OAQYLSRUSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
N-[bis(4-methoxyphenyl)methyl]-2-[4-(cyclohexylmethyl)piperazin-1-yl]acetamide
CID 55986995
N-[bis(4-methoxyphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 55387522
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
N-[bis(4-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 24617564
N-[bis(4-methoxyphenyl)methyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 30263510
N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide
CID 17473230
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
ethyl 1-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8718915
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8709816

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide (CID 125161673) is 2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide is COc1ccc([C@@H](NC(=O)CN2CCCCCC2)c2ccncc2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide?
The InChIKey is VTBPJMHYGPQMIK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-19-8-6-17(7-9-19)21(18-10-12-22-13-11-18)23-20(25)16-24-14-4-2-3-5-15-24/h6-13,21H,2-5,14-16H2,1H3,(H,23,25)/t21-/m1/s1.
What are the key properties of 2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide?
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide is sourced from PubChem (CID 125161673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).