3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide

C12H16ClN3O — CID 55042718

IUPAC3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCC2CCC2)n1
InChIInChI=1S/C12H16ClN3O/c1-14-10-6-5-9(13)11(16-10)12(17)15-7-8-3-2-4-8/h5-6,8H,2-4,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyXHXLBLOWDMKMFQ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.31
Rot. Bonds4

About 3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 55042718) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID55042718
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCC2CCC2)n1
InChIInChI=1S/C12H16ClN3O/c1-14-10-6-5-9(13)11(16-10)12(17)15-7-8-3-2-4-8/h5-6,8H,2-4,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyXHXLBLOWDMKMFQ-UHFFFAOYSA-N
XLogP2.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-cyclobutyl-6-(methylamino)pyridine-2-carboxamide
CID 62415036
3-chloro-N-cyclohexyl-6-(methylamino)pyridine-2-carboxamide
CID 62173028
3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 62173834
N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62170062
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62179799
3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107415196
3-chloro-N-(2-cyclopentylethyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62181281
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201
3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 55047188
3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide
CID 114120793
3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide
CID 62174078
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide (CID 55042718) is 3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NCC2CCC2)n1.
What is the InChIKey of 3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is XHXLBLOWDMKMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-14-10-6-5-9(13)11(16-10)12(17)15-7-8-3-2-4-8/h5-6,8H,2-4,7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 55042718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).