2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide

C15H16ClN3O2 — CID 56805111

IUPAC2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2cccc(O)c2)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O2/c1-17-14-8-11(7-13(16)18-14)15(21)19(2)9-10-4-3-5-12(20)6-10/h3-8,20H,9H2,1-2H3,(H,17,18)
InChIKeyHKNHVKBASZCIRC-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.75
Rot. Bonds4

About 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 56805111) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
PubChem CID56805111
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2cccc(O)c2)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O2/c1-17-14-8-11(7-13(16)18-14)15(21)19(2)9-10-4-3-5-12(20)6-10/h3-8,20H,9H2,1-2H3,(H,17,18)
InChIKeyHKNHVKBASZCIRC-UHFFFAOYSA-N
XLogP2.75
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 62169933
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789
2-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 62241591
N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
CID 110910720
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 62175591
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 114953146
6-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464110
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62173439
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide
CID 62172641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide (CID 56805111) is 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)Cc2cccc(O)c2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is HKNHVKBASZCIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-17-14-8-11(7-13(16)18-14)15(21)19(2)9-10-4-3-5-12(20)6-10/h3-8,20H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 56805111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).