N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide

C26H23ClN8O2 — CID 137052825

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide (PubChem CID 137052825) has the molecular formula C26H23ClN8O2 and a molecular weight of 514.98 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide
• PubChem CID: 137052825
• Molecular Formula: C26H23ClN8O2
• Molecular Weight: 514.98 g/mol
• Exact Mass: 514.16
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cc2ccc3ncc(Cl)cc3c2)nc(-c2n[nH]c(=O)[nH]2)c1
• InChI: InChI=1S/C26H23ClN8O2/c1-13-5-23(28)31-14(2)20(13)12-30-25(36)17-9-19(32-22(10-17)24-33-26(37)35-34-24)7-15-3-4-21-16(6-15)8-18(27)11-29-21/h3-6,8-11H,7,12H2,1-2H3,(H2,28,31)(H,30,36)(H2,33,34,35,37)
• InChIKey: VHVVKOARKJSETF-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 155.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.98
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide (CID 137052825) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cc(Cc2ccc3ncc(Cl)cc3c2)nc(-c2n[nH]c(=O)[nH]2)c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide?

The InChIKey is VHVVKOARKJSETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN8O2/c1-13-5-23(28)31-14(2)20(13)12-30-25(36)17-9-19(32-22(10-17)24-33-26(37)35-34-24)7-15-3-4-21-16(6-15)8-18(27)11-29-21/h3-6,8-11H,7,12H2,1-2H3,(H2,28,31)(H,30,36)(H2,33,34,35,37).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide has a molecular weight of 514.98 g/mol, XLogP of 3.48, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 137052825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).