N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide

C20H18N6O — CID 169227714

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccccc3n2)n1
InChIInChI=1S/C20H18N6O/c1-13(2)26-12-21-25-19(26)16-8-5-9-18(23-16)24-20(27)17-11-10-14-6-3-4-7-15(14)22-17/h3-13H,1-2H3,(H,23,24,27)
InChIKeyXIOLOFZPJUEWLJ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.72
Rot. Bonds4

About N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide (PubChem CID 169227714) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide
PubChem CID169227714
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccccc3n2)n1
InChIInChI=1S/C20H18N6O/c1-13(2)26-12-21-25-19(26)16-8-5-9-18(23-16)24-20(27)17-11-10-14-6-3-4-7-15(14)22-17/h3-13H,1-2H3,(H,23,24,27)
InChIKeyXIOLOFZPJUEWLJ-UHFFFAOYSA-N
XLogP3.72
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide (CID 169227714) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccccc3n2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide?
The InChIKey is XIOLOFZPJUEWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-13(2)26-12-21-25-19(26)16-8-5-9-18(23-16)24-20(27)17-11-10-14-6-3-4-7-15(14)22-17/h3-13H,1-2H3,(H,23,24,27).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide is sourced from PubChem (CID 169227714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).