N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide

C18H21N3O2 — CID 159506224

IUPACN-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide
SMILESC=Cc1cc(NC(=O)c2cccc(C)n2)c(C(C)(C)O)cc1N
InChIInChI=1S/C18H21N3O2/c1-5-12-9-16(13(10-14(12)19)18(3,4)23)21-17(22)15-8-6-7-11(2)20-15/h5-10,23H,1,19H2,2-4H3,(H,21,22)
InChIKeySQOQFJOXHMVEQZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.09
Rot. Bonds4

About N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide

N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide (PubChem CID 159506224) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide
PubChem CID159506224
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide
SMILESC=Cc1cc(NC(=O)c2cccc(C)n2)c(C(C)(C)O)cc1N
InChIInChI=1S/C18H21N3O2/c1-5-12-9-16(13(10-14(12)19)18(3,4)23)21-17(22)15-8-6-7-11(2)20-15/h5-10,23H,1,19H2,2-4H3,(H,21,22)
InChIKeySQOQFJOXHMVEQZ-UHFFFAOYSA-N
XLogP3.09
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-amino-5-(cyclohexyliminomethyl)-2-(2-hydroxypropan-2-yl)phenyl]-6-methoxypyridine-2-carboxamide
CID 155752328
N-[1-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170238711
N-(5-amino-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 16781532
N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 16785445
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155437780
3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
CID 43095073
N-(2-amino-4-bromo-6-methylphenyl)-6-methylpyridine-2-carboxamide
CID 43550019
6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide
CID 61129334
N-(5-amino-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 16788518
N-[2-[4-(hydroxymethyl)cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzoxazol-6-yl]-6-methylpyridine-2-carboxamide
CID 170238978
N-(2-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31700169
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide
CID 16784436

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide (CID 159506224) is N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide is C=Cc1cc(NC(=O)c2cccc(C)n2)c(C(C)(C)O)cc1N.
What is the InChIKey of N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide?
The InChIKey is SQOQFJOXHMVEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-5-12-9-16(13(10-14(12)19)18(3,4)23)21-17(22)15-8-6-7-11(2)20-15/h5-10,23H,1,19H2,2-4H3,(H,21,22).
What are the key properties of N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide?
N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-ethenyl-2-(2-hydroxypropan-2-yl)phenyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 159506224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).