5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide

C11H14ClN3O — CID 114923292

IUPAC5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2CCC2)c(Cl)cn1
InChIInChI=1S/C11H14ClN3O/c1-13-10-5-8(9(12)6-14-10)11(16)15-7-3-2-4-7/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyXQSZNAFMIBRRDH-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.06
Rot. Bonds3

About 5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114923292) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
PubChem CID114923292
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2CCC2)c(Cl)cn1
InChIInChI=1S/C11H14ClN3O/c1-13-10-5-8(9(12)6-14-10)11(16)15-7-3-2-4-7/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyXQSZNAFMIBRRDH-UHFFFAOYSA-N
XLogP2.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide
CID 114120804
5-chloro-N-(2,2-dimethylcyclopentyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924065
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
5-chloro-N-cyclohexyl-2-(ethylamino)pyridine-4-carboxamide
CID 114921677
5-chloro-2-(ethylamino)-N-(4-methylcyclohexyl)pyridine-4-carboxamide
CID 104983746
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone
CID 114924253
5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide
CID 114923356
3-chloro-N-cyclobutyl-6-(methylamino)pyridine-2-carboxamide
CID 62415036
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516
5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114924211
5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923616

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide (CID 114923292) is 5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NC2CCC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is XQSZNAFMIBRRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-13-10-5-8(9(12)6-14-10)11(16)15-7-3-2-4-7/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114923292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).