5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide

C16H18ClN3O — CID 62176085

IUPAC5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C)c2ccccc2C)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-10-6-4-5-7-13(10)11(2)20-16(21)12-8-14(17)15(18-3)19-9-12/h4-9,11H,1-3H3,(H,18,19)(H,20,21)
InChIKeyNZOBNULJNBTYEC-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.58
Rot. Bonds4

About 5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide

5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 62176085) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID62176085
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C)c2ccccc2C)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-10-6-4-5-7-13(10)11(2)20-16(21)12-8-14(17)15(18-3)19-9-12/h4-9,11H,1-3H3,(H,18,19)(H,20,21)
InChIKeyNZOBNULJNBTYEC-UHFFFAOYSA-N
XLogP3.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-(2-chlorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62247507
5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62174665
3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111876
5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218044
N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62170242
5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 62304573
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106347150
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 7936550
5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
CID 55046864
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107375144

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide (CID 62176085) is 5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide is CNc1ncc(C(=O)NC(C)c2ccccc2C)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is NZOBNULJNBTYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-6-4-5-7-13(10)11(2)20-16(21)12-8-14(17)15(18-3)19-9-12/h4-9,11H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide?
5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 62176085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).