N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide

C19H22FN3O — CID 113031077

IUPACN-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C19H22FN3O/c20-17-8-4-3-7-15(17)13-19(24)22-18-10-9-16(14-21-18)23-11-5-1-2-6-12-23/h3-4,7-10,14H,1-2,5-6,11-13H2,(H,21,22,24)
InChIKeyBNFVIHKAJCATGH-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.78
Rot. Bonds4

About N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide

N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113031077) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
PubChem CID113031077
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C19H22FN3O/c20-17-8-4-3-7-15(17)13-19(24)22-18-10-9-16(14-21-18)23-11-5-1-2-6-12-23/h3-4,7-10,14H,1-2,5-6,11-13H2,(H,21,22,24)
InChIKeyBNFVIHKAJCATGH-UHFFFAOYSA-N
XLogP3.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]acetamide
CID 113029590
3-(2-fluorophenyl)-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 38140626
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-yl-2-pyridinyl)amino]ethyl]acetamide
CID 78878188
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 39072303
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
2-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)butanamide
CID 113024566
2-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492204
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809238
(2S)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809239
N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 39072386

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide (CID 113031077) is N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)Nc1ccc(N2CCCCCC2)cn1.
What is the InChIKey of N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is BNFVIHKAJCATGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-17-8-4-3-7-15(17)13-19(24)22-18-10-9-16(14-21-18)23-11-5-1-2-6-12-23/h3-4,7-10,14H,1-2,5-6,11-13H2,(H,21,22,24).
What are the key properties of N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide?
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 327.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113031077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).