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

C20H18N6O — CID 169227716

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2nccc3ccccc23)n1
InChIInChI=1S/C20H18N6O/c1-13(2)26-12-22-25-19(26)16-8-5-9-17(23-16)24-20(27)18-15-7-4-3-6-14(15)10-11-21-18/h3-13H,1-2H3,(H,23,24,27)
InChIKeyOWFHYBIRHOEXIQ-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]isoquinoline-1-carboxamide

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide (PubChem CID 169227716) 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]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide
PubChem CID169227716
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]isoquinoline-1-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2nccc3ccccc23)n1
InChIInChI=1S/C20H18N6O/c1-13(2)26-12-22-25-19(26)16-8-5-9-17(23-16)24-20(27)18-15-7-4-3-6-14(15)10-11-21-18/h3-13H,1-2H3,(H,23,24,27)
InChIKeyOWFHYBIRHOEXIQ-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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Launch Full Analysis

Related Compounds

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide
CID 169227714
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
CID 142483445
3-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671011
1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 153449802
2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid
CID 155230978
2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyridine-3-carboxamide
CID 153384507
3-tert-butyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 171476967
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide
CID 135347782
N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 142350876
3-(4-chloroimidazol-1-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
CID 175757426
N-[2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyrimidine-5-carboxamide
CID 135348154

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide (CID 169227716) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2nccc3ccccc23)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide?
The InChIKey is OWFHYBIRHOEXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-13(2)26-12-22-25-19(26)16-8-5-9-17(23-16)24-20(27)18-15-7-4-3-6-14(15)10-11-21-18/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]isoquinoline-1-carboxamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-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]isoquinoline-1-carboxamide is sourced from PubChem (CID 169227716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).