N-(azepan-3-yl)-3-chloropyridine-4-carboxamide

C12H16ClN3O — CID 66482428

IUPACN-(azepan-3-yl)-3-chloropyridine-4-carboxamide
SMILESO=C(NC1CCCCNC1)c1ccncc1Cl
InChIInChI=1S/C12H16ClN3O/c13-11-8-15-6-4-10(11)12(17)16-9-3-1-2-5-14-7-9/h4,6,8-9,14H,1-3,5,7H2,(H,16,17)
InChIKeyNZKGUBIPJNWSAE-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.61
Rot. Bonds2

About N-(azepan-3-yl)-3-chloropyridine-4-carboxamide

N-(azepan-3-yl)-3-chloropyridine-4-carboxamide (PubChem CID 66482428) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(azepan-3-yl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(azepan-3-yl)-3-chloropyridine-4-carboxamide
PubChem CID66482428
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(azepan-3-yl)-3-chloropyridine-4-carboxamide
SMILESO=C(NC1CCCCNC1)c1ccncc1Cl
InChIInChI=1S/C12H16ClN3O/c13-11-8-15-6-4-10(11)12(17)16-9-3-1-2-5-14-7-9/h4,6,8-9,14H,1-3,5,7H2,(H,16,17)
InChIKeyNZKGUBIPJNWSAE-UHFFFAOYSA-N
XLogP1.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119426879
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119452044
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
2-chloro-N-cycloheptylbenzamide;pyrrolidine
CID 143233402
N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
CID 66482226
3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 66484559
3-chloro-N-(3,5-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66482604
N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
CID 66483792
5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 115044845
2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451115

Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(azepan-3-yl)-3-chloropyridine-4-carboxamide (CID 66482428) is N-(azepan-3-yl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(azepan-3-yl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(azepan-3-yl)-3-chloropyridine-4-carboxamide is O=C(NC1CCCCNC1)c1ccncc1Cl.
What is the InChIKey of N-(azepan-3-yl)-3-chloropyridine-4-carboxamide?
The InChIKey is NZKGUBIPJNWSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-11-8-15-6-4-10(11)12(17)16-9-3-1-2-5-14-7-9/h4,6,8-9,14H,1-3,5,7H2,(H,16,17).
What are the key properties of N-(azepan-3-yl)-3-chloropyridine-4-carboxamide?
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 66482428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).