2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

C19H16N8O — CID 134556719

IUPAC2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCn1cc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)nn1
InChIInChI=1S/C19H16N8O/c1-27-12-17(25-26-27)24-19-21-10-8-15(23-19)18(28)22-16-11-20-9-7-14(16)13-5-3-2-4-6-13/h2-12H,1H3,(H,22,28)(H,21,23,24)
InChIKeyIBDSIOJXFUJVLW-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.66
Rot. Bonds5

About 2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 134556719) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID134556719
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCn1cc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)nn1
InChIInChI=1S/C19H16N8O/c1-27-12-17(25-26-27)24-19-21-10-8-15(23-19)18(28)22-16-11-20-9-7-14(16)13-5-3-2-4-6-13/h2-12H,1H3,(H,22,28)(H,21,23,24)
InChIKeyIBDSIOJXFUJVLW-UHFFFAOYSA-N
XLogP2.66
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methylsulfanylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134543081
2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556611
2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556717
N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide
CID 134556674
2-(4-cyanoanilino)-N-[4-(4-fluorophenyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556469
N-[4-(2-fluorophenyl)-3-pyridinyl]-2-[(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
CID 134542873
2-[(5-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064436
2-phenyl-N-(4-phenyl-3-pyridinyl)imidazo[1,2-b]pyridazine-8-carboxamide
CID 134551581
2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064170
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118063909

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (CID 134556719) is 2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is Cn1cc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)nn1.
What is the InChIKey of 2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is IBDSIOJXFUJVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c1-27-12-17(25-26-27)24-19-21-10-8-15(23-19)18(28)22-16-11-20-9-7-14(16)13-5-3-2-4-6-13/h2-12H,1H3,(H,22,28)(H,21,23,24).
What are the key properties of 2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 134556719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).