5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide

C9H12ClN3O — CID 62170738

IUPAC5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(C)C)cc1Cl
InChIInChI=1S/C9H12ClN3O/c1-11-8-7(10)4-6(5-12-8)9(14)13(2)3/h4-5H,1-3H3,(H,11,12)
InChIKeyMAHYIENQUHNLMB-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.48
Rot. Bonds2

About 5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide

5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide (PubChem CID 62170738) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
PubChem CID62170738
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N(C)C)cc1Cl
InChIInChI=1S/C9H12ClN3O/c1-11-8-7(10)4-6(5-12-8)9(14)13(2)3/h4-5H,1-3H3,(H,11,12)
InChIKeyMAHYIENQUHNLMB-UHFFFAOYSA-N
XLogP1.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 112664211
5-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 62166006
5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62169928
5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 102636771
5-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62179255
5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63020903
4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 122060149
5-chloro-N-cyclopropyl-6-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 55047231
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486134
5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180547
5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
CID 55046864

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide (CID 62170738) is 5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)N(C)C)cc1Cl.
What is the InChIKey of 5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is MAHYIENQUHNLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-11-8-7(10)4-6(5-12-8)9(14)13(2)3/h4-5H,1-3H3,(H,11,12).
What are the key properties of 5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 213.67 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62170738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).