2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide

C21H27N3O2 — CID 109176065

IUPAC2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccnc(N3CCCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-19-9-7-18(8-10-19)23-21(25)17-11-12-22-20(15-17)24-13-5-3-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyXOMPNHKTNVXBMX-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.50
Rot. Bonds5

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

2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide (PubChem CID 109176065) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
PubChem CID109176065
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccnc(N3CCCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-19-9-7-18(8-10-19)23-21(25)17-11-12-22-20(15-17)24-13-5-3-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyXOMPNHKTNVXBMX-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109168784
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109218677
ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
CID 109166245
2-(2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176475
5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241366
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109165938
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109174068
ethyl 4-[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174338
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide (CID 109176065) is 2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide is CC(C)Oc1ccc(NC(=O)c2ccnc(N3CCCCCC3)c2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The InChIKey is XOMPNHKTNVXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)26-19-9-7-18(8-10-19)23-21(25)17-11-12-22-20(15-17)24-13-5-3-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,25).
What are the key properties of 2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109176065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).