4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide

C16H19N3O2 — CID 107232295

IUPAC4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2ccc(CO)cc2)ccn1
InChIInChI=1S/C16H19N3O2/c1-19(2)16(21)15-9-14(7-8-17-15)18-10-12-3-5-13(11-20)6-4-12/h3-9,20H,10-11H2,1-2H3,(H,17,18)
InChIKeyQCOJUOFEQWYRHX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.89
Rot. Bonds5

About 4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide

4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 107232295) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID107232295
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2ccc(CO)cc2)ccn1
InChIInChI=1S/C16H19N3O2/c1-19(2)16(21)15-9-14(7-8-17-15)18-10-12-3-5-13(11-20)6-4-12/h3-9,20H,10-11H2,1-2H3,(H,17,18)
InChIKeyQCOJUOFEQWYRHX-UHFFFAOYSA-N
XLogP1.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide
CID 54897544
N,N-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridine-2-carboxamide
CID 61348905
4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
CID 59848916
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 63295796
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide
CID 63281075
N,N-dimethyl-4-[(4-methyl-3-pyridinyl)methylamino]pyridine-2-carboxamide
CID 114956582
4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 65243446
4-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109211884
4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63962759

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide (CID 107232295) is 4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(NCc2ccc(CO)cc2)ccn1.
What is the InChIKey of 4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is QCOJUOFEQWYRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(2)16(21)15-9-14(7-8-17-15)18-10-12-3-5-13(11-20)6-4-12/h3-9,20H,10-11H2,1-2H3,(H,17,18).
What are the key properties of 4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide?
4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 107232295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).