4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide

C24H25N3O2 — CID 109218712

IUPAC4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C24H25N3O2/c28-24(22-18-19(14-15-25-22)27-16-8-1-2-9-17-27)26-21-12-6-7-13-23(21)29-20-10-4-3-5-11-20/h3-7,10-15,18H,1-2,8-9,16-17H2,(H,26,28)
InChIKeySINZPMCZBPCIIR-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.51
Rot. Bonds5

About 4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide

4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide (PubChem CID 109218712) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide
PubChem CID109218712
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C24H25N3O2/c28-24(22-18-19(14-15-25-22)27-16-8-1-2-9-17-27)26-21-12-6-7-13-23(21)29-20-10-4-3-5-11-20/h3-7,10-15,18H,1-2,8-9,16-17H2,(H,26,28)
InChIKeySINZPMCZBPCIIR-UHFFFAOYSA-N
XLogP5.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperidin-1-yl-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109204673
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 109166024
4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109218647
4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109218661
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203910
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203970
1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122086211
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide (CID 109218712) is 4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1cc(N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide?
The InChIKey is SINZPMCZBPCIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(22-18-19(14-15-25-22)27-16-8-1-2-9-17-27)26-21-12-6-7-13-23(21)29-20-10-4-3-5-11-20/h3-7,10-15,18H,1-2,8-9,16-17H2,(H,26,28).
What are the key properties of 4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide?
4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109218712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).