6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide

C18H16N6O2 — CID 121022286

IUPAC6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3cn(-c4ccncc4)nn3)[nH]c2c1
InChIInChI=1S/C18H16N6O2/c1-26-15-3-2-12-8-17(21-16(12)9-15)18(25)20-10-13-11-24(23-22-13)14-4-6-19-7-5-14/h2-9,11,21H,10H2,1H3,(H,20,25)
InChIKeySCDRMWVXSMEAAS-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.08
Rot. Bonds5

About 6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide

6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 121022286) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide
PubChem CID121022286
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3cn(-c4ccncc4)nn3)[nH]c2c1
InChIInChI=1S/C18H16N6O2/c1-26-15-3-2-12-8-17(21-16(12)9-15)18(25)20-10-13-11-24(23-22-13)14-4-6-19-7-5-14/h2-9,11,21H,10H2,1H3,(H,20,25)
InChIKeySCDRMWVXSMEAAS-UHFFFAOYSA-N
XLogP2.08
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide (CID 121022286) is 6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3cn(-c4ccncc4)nn3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is SCDRMWVXSMEAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-26-15-3-2-12-8-17(21-16(12)9-15)18(25)20-10-13-11-24(23-22-13)14-4-6-19-7-5-14/h2-9,11,21H,10H2,1H3,(H,20,25).
What are the key properties of 6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide?
6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1-pyridin-4-yltriazol-4-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 121022286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).