N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

C20H24FN3O — CID 129008012

IUPACN-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N(Cc1ccccn1)C1CCCNCC1
InChIInChI=1S/C20H24FN3O/c21-17-6-3-5-16(13-17)14-20(25)24(15-18-7-1-2-11-23-18)19-8-4-10-22-12-9-19/h1-3,5-7,11,13,19,22H,4,8-10,12,14-15H2
InChIKeyIEKCEZHHFZGXNQ-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.93
Rot. Bonds5

About N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 129008012) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID129008012
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N(Cc1ccccn1)C1CCCNCC1
InChIInChI=1S/C20H24FN3O/c21-17-6-3-5-16(13-17)14-20(25)24(15-18-7-1-2-11-23-18)19-8-4-10-22-12-9-19/h1-3,5-7,11,13,19,22H,4,8-10,12,14-15H2
InChIKeyIEKCEZHHFZGXNQ-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 126768569
(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129475727
N-[(4S)-azepan-4-yl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 129476433
N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 122081130
N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide
CID 106628805
N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 129398986
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129003838
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride
CID 129003740
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 129399021
N-[(4S)-azepan-4-yl]-5-chloro-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 129474225

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 129008012) is N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1cccc(F)c1)N(Cc1ccccn1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is IEKCEZHHFZGXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-17-6-3-5-16(13-17)14-20(25)24(15-18-7-1-2-11-23-18)19-8-4-10-22-12-9-19/h1-3,5-7,11,13,19,22H,4,8-10,12,14-15H2.
What are the key properties of N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 341.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 129008012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).