N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide

C17H15N5O — CID 166581405

IUPACN-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccncc2)n1)C1Cc2ccccc2C1
InChIInChI=1S/C17H15N5O/c23-16(14-9-12-3-1-2-4-13(12)10-14)20-17-19-15(21-22-17)11-5-7-18-8-6-11/h1-8,14H,9-10H2,(H2,19,20,21,22,23)
InChIKeyGKCPPPYQVKSBDU-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.22
Rot. Bonds3

About N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide

N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 166581405) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID166581405
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccncc2)n1)C1Cc2ccccc2C1
InChIInChI=1S/C17H15N5O/c23-16(14-9-12-3-1-2-4-13(12)10-14)20-17-19-15(21-22-17)11-5-7-18-8-6-11/h1-8,14H,9-10H2,(H2,19,20,21,22,23)
InChIKeyGKCPPPYQVKSBDU-UHFFFAOYSA-N
XLogP2.22
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide (CID 166581405) is N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1n[nH]c(-c2ccncc2)n1)C1Cc2ccccc2C1.
What is the InChIKey of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is GKCPPPYQVKSBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-16(14-9-12-3-1-2-4-13(12)10-14)20-17-19-15(21-22-17)11-5-7-18-8-6-11/h1-8,14H,9-10H2,(H2,19,20,21,22,23).
What are the key properties of N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 166581405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).