4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide

C16H19N3O2 — CID 105058494

IUPAC4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(C)(CO)c2ccccc2)ccn1
InChIInChI=1S/C16H19N3O2/c1-16(11-20,12-6-4-3-5-7-12)19-13-8-9-18-14(10-13)15(21)17-2/h3-10,20H,11H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyRBTAPNACGYSSQE-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.76
Rot. Bonds5

About 4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide

4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 105058494) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide
PubChem CID105058494
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(C)(CO)c2ccccc2)ccn1
InChIInChI=1S/C16H19N3O2/c1-16(11-20,12-6-4-3-5-7-12)19-13-8-9-18-14(10-13)15(21)17-2/h3-10,20H,11H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyRBTAPNACGYSSQE-UHFFFAOYSA-N
XLogP1.76
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 114155484
4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid
CID 60893530
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 129189538
4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 114149238
4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 113283242
N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide
CID 112722856
1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone
CID 105057753

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide (CID 105058494) is 4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NC(C)(CO)c2ccccc2)ccn1.
What is the InChIKey of 4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is RBTAPNACGYSSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(11-20,12-6-4-3-5-7-12)19-13-8-9-18-14(10-13)15(21)17-2/h3-10,20H,11H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide?
4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 105058494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).