2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide

C20H23N7O2 — CID 67515518

IUPAC2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide
SMILESCNc1nc(Nc2ccc(C3CCOCC3)cc2)c(-c2cn[nH]n2)cc1C(N)=O
InChIInChI=1S/C20H23N7O2/c1-22-19-16(18(21)28)10-15(17-11-23-27-26-17)20(25-19)24-14-4-2-12(3-5-14)13-6-8-29-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H2,21,28)(H2,22,24,25)(H,23,26,27)
InChIKeyMEZKNGAIQXIBEH-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.64
Rot. Bonds6

About 2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide

2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide (PubChem CID 67515518) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide
PubChem CID67515518
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide
SMILESCNc1nc(Nc2ccc(C3CCOCC3)cc2)c(-c2cn[nH]n2)cc1C(N)=O
InChIInChI=1S/C20H23N7O2/c1-22-19-16(18(21)28)10-15(17-11-23-27-26-17)20(25-19)24-14-4-2-12(3-5-14)13-6-8-29-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H2,21,28)(H2,22,24,25)(H,23,26,27)
InChIKeyMEZKNGAIQXIBEH-UHFFFAOYSA-N
XLogP2.64
TPSA130.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide (CID 67515518) is 2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide is CNc1nc(Nc2ccc(C3CCOCC3)cc2)c(-c2cn[nH]n2)cc1C(N)=O.
What is the InChIKey of 2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide?
The InChIKey is MEZKNGAIQXIBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-22-19-16(18(21)28)10-15(17-11-23-27-26-17)20(25-19)24-14-4-2-12(3-5-14)13-6-8-29-9-7-13/h2-5,10-11,13H,6-9H2,1H3,(H2,21,28)(H2,22,24,25)(H,23,26,27).
What are the key properties of 2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide?
2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-[4-(oxan-4-yl)anilino]-5-(2H-triazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 67515518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).