N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide

C21H27N3O — CID 71842562

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1
InChIInChI=1S/C21H27N3O/c1-2-17-7-10-19(11-8-17)21(25)23-16-18-9-12-20(22-15-18)24-13-5-3-4-6-14-24/h7-12,15H,2-6,13-14,16H2,1H3,(H,23,25)
InChIKeyUHEMVUXLFOPZAN-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.95
Rot. Bonds5

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide (PubChem CID 71842562) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
PubChem CID71842562
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1
InChIInChI=1S/C21H27N3O/c1-2-17-7-10-19(11-8-17)21(25)23-16-18-9-12-20(22-15-18)24-13-5-3-4-6-14-24/h7-12,15H,2-6,13-14,16H2,1H3,(H,23,25)
InChIKeyUHEMVUXLFOPZAN-UHFFFAOYSA-N
XLogP3.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate
CID 37481999
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37480846
4-pyrazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528681
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735028
N-[3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]-4-bromobenzamide
CID 55845967
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide (CID 71842562) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide?
The InChIKey is UHEMVUXLFOPZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-17-7-10-19(11-8-17)21(25)23-16-18-9-12-20(22-15-18)24-13-5-3-4-6-14-24/h7-12,15H,2-6,13-14,16H2,1H3,(H,23,25).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide has a molecular weight of 337.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide is sourced from PubChem (CID 71842562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).