6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide

C15H17N3O2 — CID 115898968

IUPAC6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2ccccc2O)nc1
InChIInChI=1S/C15H17N3O2/c1-18(2)15(20)12-7-8-14(17-10-12)16-9-11-5-3-4-6-13(11)19/h3-8,10,19H,9H2,1-2H3,(H,16,17)
InChIKeyCVHHOXDIHKBEHJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.10
Rot. Bonds4

About 6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide

6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 115898968) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID115898968
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2ccccc2O)nc1
InChIInChI=1S/C15H17N3O2/c1-18(2)15(20)12-7-8-14(17-10-12)16-9-11-5-3-4-6-13(11)19/h3-8,10,19H,9H2,1-2H3,(H,16,17)
InChIKeyCVHHOXDIHKBEHJ-UHFFFAOYSA-N
XLogP2.10
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 114700898
N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide
CID 78956358
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
N,N-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 78955998
6-[(5-bromo-2-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956191
N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
CID 103883730
6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918042
N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 109156786
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide (CID 115898968) is 6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCc2ccccc2O)nc1.
What is the InChIKey of 6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is CVHHOXDIHKBEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18(2)15(20)12-7-8-14(17-10-12)16-9-11-5-3-4-6-13(11)19/h3-8,10,19H,9H2,1-2H3,(H,16,17).
What are the key properties of 6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide?
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 115898968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).