N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide

C16H19N3O2 — CID 75435675

IUPACN-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C16H19N3O2/c1-11(2)18-15-14(7-4-8-17-15)16(21)19-13-6-3-5-12(9-13)10-20/h3-9,11,20H,10H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyOVUPRWZNDXKFMB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.65
Rot. Bonds5

About N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide

N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 75435675) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID75435675
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C16H19N3O2/c1-11(2)18-15-14(7-4-8-17-15)16(21)19-13-6-3-5-12(9-13)10-20/h3-9,11,20H,10H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyOVUPRWZNDXKFMB-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574743
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574296
2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 112809803
N-(4-hydroxyphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574934
N-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574949
2-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62249141
N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574300
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 167971466
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 129316266
5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 110910882
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide (CID 75435675) is N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ncccc1C(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is OVUPRWZNDXKFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(2)18-15-14(7-4-8-17-15)16(21)19-13-6-3-5-12(9-13)10-20/h3-9,11,20H,10H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide?
N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 75435675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).