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

C20H24FN3O — CID 91773846

IUPAC2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
SMILESO=C(CN1CCCCCC1)NC(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O/c21-18-7-5-16(6-8-18)20(17-9-11-22-12-10-17)23-19(25)15-24-13-3-1-2-4-14-24/h5-12,20H,1-4,13-15H2,(H,23,25)
InChIKeyTWWQFESIRPNISU-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.30
Rot. Bonds5

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

2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide (PubChem CID 91773846) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
PubChem CID91773846
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
SMILESO=C(CN1CCCCCC1)NC(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O/c21-18-7-5-16(6-8-18)20(17-9-11-22-12-10-17)23-19(25)15-24-13-3-1-2-4-14-24/h5-12,20H,1-4,13-15H2,(H,23,25)
InChIKeyTWWQFESIRPNISU-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
CID 97152357
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 126441326
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
N-[bis(4-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 24617564
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 56684572
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 87017122
N-(4-fluorophenyl)-2-[4-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30622575

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide (CID 91773846) is 2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide is O=C(CN1CCCCCC1)NC(c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide?
The InChIKey is TWWQFESIRPNISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-18-7-5-16(6-8-18)20(17-9-11-22-12-10-17)23-19(25)15-24-13-3-1-2-4-14-24/h5-12,20H,1-4,13-15H2,(H,23,25).
What are the key properties of 2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide?
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide has a molecular weight of 341.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide is sourced from PubChem (CID 91773846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).