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

C21H21N7O2 — CID 155671004

IUPAC7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(=O)Nc1cccc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)[nH]c12
InChIInChI=1S/C21H21N7O2/c1-12(2)28-11-22-27-20(28)16-8-5-9-18(24-16)26-21(30)17-10-14-6-4-7-15(19(14)25-17)23-13(3)29/h4-12,25H,1-3H3,(H,23,29)(H,24,26,30)
InChIKeyWKEUSOIWGYPPHH-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.61
Rot. Bonds5

About 7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide

7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 155671004) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
PubChem CID155671004
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(=O)Nc1cccc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)[nH]c12
InChIInChI=1S/C21H21N7O2/c1-12(2)28-11-22-27-20(28)16-8-5-9-18(24-16)26-21(30)17-10-14-6-4-7-15(19(14)25-17)23-13(3)29/h4-12,25H,1-3H3,(H,23,29)(H,24,26,30)
InChIKeyWKEUSOIWGYPPHH-UHFFFAOYSA-N
XLogP3.61
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (CID 155671004) is 7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide is CC(=O)Nc1cccc2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)[nH]c12.
What is the InChIKey of 7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is WKEUSOIWGYPPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-12(2)28-11-22-27-20(28)16-8-5-9-18(24-16)26-21(30)17-10-14-6-4-7-15(19(14)25-17)23-13(3)29/h4-12,25H,1-3H3,(H,23,29)(H,24,26,30).
What are the key properties of 7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155671004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).