5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide

C14H20ClN3O2 — CID 102636807

IUPAC5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C2CCCCC2O)c(Cl)cn1
InChIInChI=1S/C14H20ClN3O2/c1-16-13-7-9(10(15)8-17-13)14(20)18(2)11-5-3-4-6-12(11)19/h7-8,11-12,19H,3-6H2,1-2H3,(H,16,17)
InChIKeyXSWZGIXRSDLILU-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.15
Rot. Bonds3

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

5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide (PubChem CID 102636807) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
PubChem CID102636807
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C2CCCCC2O)c(Cl)cn1
InChIInChI=1S/C14H20ClN3O2/c1-16-13-7-9(10(15)8-17-13)14(20)18(2)11-5-3-4-6-12(11)19/h7-8,11-12,19H,3-6H2,1-2H3,(H,16,17)
InChIKeyXSWZGIXRSDLILU-UHFFFAOYSA-N
XLogP2.15
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 114921836
5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 102636771
5-chloro-N-cyclopentyl-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114922154
2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107036632
5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
CID 114923292
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923612
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114922855
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924344
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-chloro-2-(methylamino)-4-pyridinyl]methanone
CID 114924253
5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114923790

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide (CID 102636807) is 5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)C2CCCCC2O)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is XSWZGIXRSDLILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-16-13-7-9(10(15)8-17-13)14(20)18(2)11-5-3-4-6-12(11)19/h7-8,11-12,19H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 102636807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).