N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide

C10H12ClN3O — CID 66482226

IUPACN-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
SMILESNC1CC(NC(=O)c2ccncc2Cl)C1
InChIInChI=1S/C10H12ClN3O/c11-9-5-13-2-1-8(9)10(15)14-7-3-6(12)4-7/h1-2,5-7H,3-4,12H2,(H,14,15)
InChIKeyNZDSFKNQAGIMBS-UHFFFAOYSA-N
MW225.68 g/mol
LogP0.95
Rot. Bonds2

About N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide

N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide (PubChem CID 66482226) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
PubChem CID66482226
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC NameN-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
SMILESNC1CC(NC(=O)c2ccncc2Cl)C1
InChIInChI=1S/C10H12ClN3O/c11-9-5-13-2-1-8(9)10(15)14-7-3-6(12)4-7/h1-2,5-7H,3-4,12H2,(H,14,15)
InChIKeyNZDSFKNQAGIMBS-UHFFFAOYSA-N
XLogP0.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3,5-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66482604
N-(3-aminocyclobutyl)-3-hydroxypyridine-4-carboxamide
CID 81442624
N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
CID 64951103
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119452044
4-[(3-chloropyridine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210100
N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
CID 66483792
3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119426879
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-4-carboxamide
CID 66482736
3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 66484717
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
CID 106132458

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide (CID 66482226) is N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide is NC1CC(NC(=O)c2ccncc2Cl)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide?
The InChIKey is NZDSFKNQAGIMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-9-5-13-2-1-8(9)10(15)14-7-3-6(12)4-7/h1-2,5-7H,3-4,12H2,(H,14,15).
What are the key properties of N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide?
N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide has a molecular weight of 225.68 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 66482226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).