N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide

C14H15N3O2 — CID 106813423

IUPACN-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-11(15)8-12(9)16-14(19)10-5-6-17(2)13(18)7-10/h3-8H,15H2,1-2H3,(H,16,19)
InChIKeyQBCZVLMXWKICAZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.53
Rot. Bonds2

About N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 106813423) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID106813423
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-11(15)8-12(9)16-14(19)10-5-6-17(2)13(18)7-10/h3-8H,15H2,1-2H3,(H,16,19)
InChIKeyQBCZVLMXWKICAZ-UHFFFAOYSA-N
XLogP1.53
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103793620
1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide
CID 103610887
N-(3-hydroxy-4-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103772619
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
N-(4-iodophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610749
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-(5-amino-2-methylphenyl)thiophene-3-carboxamide
CID 16775511
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-(5-amino-2-methylphenyl)-4-phenoxybenzamide
CID 57326481

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 106813423) is N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide is Cc1ccc(N)cc1NC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is QBCZVLMXWKICAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-3-4-11(15)8-12(9)16-14(19)10-5-6-17(2)13(18)7-10/h3-8H,15H2,1-2H3,(H,16,19).
What are the key properties of N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 106813423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).