N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide

C13H18ClN3O — CID 66483792

IUPACN-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
SMILESNC1CCCCCC1NC(=O)c1ccncc1Cl
InChIInChI=1S/C13H18ClN3O/c14-10-8-16-7-6-9(10)13(18)17-12-5-3-1-2-4-11(12)15/h6-8,11-12H,1-5,15H2,(H,17,18)
InChIKeyHKCUORFTTNAORE-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.12
Rot. Bonds2

About N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide

N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide (PubChem CID 66483792) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
PubChem CID66483792
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
SMILESNC1CCCCCC1NC(=O)c1ccncc1Cl
InChIInChI=1S/C13H18ClN3O/c14-10-8-16-7-6-9(10)13(18)17-12-5-3-1-2-4-11(12)15/h6-8,11-12H,1-5,15H2,(H,17,18)
InChIKeyHKCUORFTTNAORE-UHFFFAOYSA-N
XLogP2.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 66482743
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
CID 66482226
N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide
CID 63251463
N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
CID 107098127
1-N-(3-chloro-4-pyridinyl)cycloheptane-1,2-diamine
CID 79841115
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide
CID 79877759
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide (CID 66483792) is N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide is NC1CCCCCC1NC(=O)c1ccncc1Cl.
What is the InChIKey of N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide?
The InChIKey is HKCUORFTTNAORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-10-8-16-7-6-9(10)13(18)17-12-5-3-1-2-4-11(12)15/h6-8,11-12H,1-5,15H2,(H,17,18).
What are the key properties of N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide?
N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 66483792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).