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

C20H20N6O — CID 155671015

IUPAC1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3n2C)n1
InChIInChI=1S/C20H20N6O/c1-13(2)26-12-21-24-19(26)15-8-6-10-18(22-15)23-20(27)17-11-14-7-4-5-9-16(14)25(17)3/h4-13H,1-3H3,(H,22,23,27)
InChIKeyTUWHHGVOZLPWQK-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.66
Rot. Bonds4

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

1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide (PubChem CID 155671015) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide
PubChem CID155671015
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3n2C)n1
InChIInChI=1S/C20H20N6O/c1-13(2)26-12-21-24-19(26)15-8-6-10-18(22-15)23-20(27)17-11-14-7-4-5-9-16(14)25(17)3/h4-13H,1-3H3,(H,22,23,27)
InChIKeyTUWHHGVOZLPWQK-UHFFFAOYSA-N
XLogP3.66
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide (CID 155671015) is 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3n2C)n1.
What is the InChIKey of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide?
The InChIKey is TUWHHGVOZLPWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13(2)26-12-21-24-19(26)15-8-6-10-18(22-15)23-20(27)17-11-14-7-4-5-9-16(14)25(17)3/h4-13H,1-3H3,(H,22,23,27).
What are the key properties of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide?
1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide is sourced from PubChem (CID 155671015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).