N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C15H12N6O3 — CID 60525884

IUPACN-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(-n3cncn3)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12N6O3/c1-10-2-3-12(7-13(10)21(23)24)19-15(22)11-4-5-17-14(6-11)20-9-16-8-18-20/h2-9H,1H3,(H,19,22)
InChIKeyMRXNHPGASCGPOD-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.13
Rot. Bonds4

About N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 60525884) has the molecular formula C15H12N6O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID60525884
Molecular FormulaC15H12N6O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(-n3cncn3)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12N6O3/c1-10-2-3-12(7-13(10)21(23)24)19-15(22)11-4-5-17-14(6-11)20-9-16-8-18-20/h2-9H,1H3,(H,19,22)
InChIKeyMRXNHPGASCGPOD-UHFFFAOYSA-N
XLogP2.13
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-3-nitrophenyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567323
N-(3-chloro-4-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 26719851
2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 47071207
N-(9-ethylcarbazol-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526034
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 154751807
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
N-(2,5-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 17405245
N-(4-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737
N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 38267885
4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide
CID 62238018
N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 71854091

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 60525884) is N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(-n3cncn3)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is MRXNHPGASCGPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O3/c1-10-2-3-12(7-13(10)21(23)24)19-15(22)11-4-5-17-14(6-11)20-9-16-8-18-20/h2-9H,1H3,(H,19,22).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60525884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).