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

C19H18N6O — CID 155670992

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C19H18N6O/c1-12(2)25-11-20-24-18(25)15-8-5-9-17(22-15)23-19(26)16-10-13-6-3-4-7-14(13)21-16/h3-12,21H,1-2H3,(H,22,23,26)
InChIKeyGJUHMMVRWJIBNO-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.65
Rot. Bonds4

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

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 155670992) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
PubChem CID155670992
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C19H18N6O/c1-12(2)25-11-20-24-18(25)15-8-5-9-17(22-15)23-19(26)16-10-13-6-3-4-7-14(13)21-16/h3-12,21H,1-2H3,(H,22,23,26)
InChIKeyGJUHMMVRWJIBNO-UHFFFAOYSA-N
XLogP3.65
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-1H-indole-2-carboxamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (CID 155670992) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is GJUHMMVRWJIBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12(2)25-11-20-24-18(25)15-8-5-9-17(22-15)23-19(26)16-10-13-6-3-4-7-14(13)21-16/h3-12,21H,1-2H3,(H,22,23,26).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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]-1H-indole-2-carboxamide is sourced from PubChem (CID 155670992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).