N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide

C24H24N6O — CID 146295811

IUPACN-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide
SMILESCC(C)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccn4)cc3)c2)nn1
InChIInChI=1S/C24H24N6O/c1-17(2)14-21-16-30(29-28-21)22-7-5-6-20(15-22)26-18-9-11-19(12-10-18)27-24(31)23-8-3-4-13-25-23/h3-13,15-17,26H,14H2,1-2H3,(H,27,31)
InChIKeyZGJTYDDHQRTUCO-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.86
Rot. Bonds7

About N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide

N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide (PubChem CID 146295811) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide
PubChem CID146295811
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide
SMILESCC(C)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccn4)cc3)c2)nn1
InChIInChI=1S/C24H24N6O/c1-17(2)14-21-16-30(29-28-21)22-7-5-6-20(15-22)26-18-9-11-19(12-10-18)27-24(31)23-8-3-4-13-25-23/h3-13,15-17,26H,14H2,1-2H3,(H,27,31)
InChIKeyZGJTYDDHQRTUCO-UHFFFAOYSA-N
XLogP4.86
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide (CID 146295811) is N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide is CC(C)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4ccccn4)cc3)c2)nn1.
What is the InChIKey of N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide?
The InChIKey is ZGJTYDDHQRTUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-17(2)14-21-16-30(29-28-21)22-7-5-6-20(15-22)26-18-9-11-19(12-10-18)27-24(31)23-8-3-4-13-25-23/h3-13,15-17,26H,14H2,1-2H3,(H,27,31).
What are the key properties of N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide?
N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 146295811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).