N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide

C14H12N4O — CID 2999812

IUPACN-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCc1ccccn1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H12N4O/c19-14(16-9-10-5-3-4-8-15-10)13-11-6-1-2-7-12(11)17-18-13/h1-8H,9H2,(H,16,19)(H,17,18)
InChIKeyMCPGTFMPDWURDA-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.89
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide

N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 2999812) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
PubChem CID2999812
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCc1ccccn1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H12N4O/c19-14(16-9-10-5-3-4-8-15-10)13-11-6-1-2-7-12(11)17-18-13/h1-8H,9H2,(H,16,19)(H,17,18)
InChIKeyMCPGTFMPDWURDA-UHFFFAOYSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide (CID 2999812) is N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide is O=C(NCc1ccccn1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is MCPGTFMPDWURDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-14(16-9-10-5-3-4-8-15-10)13-11-6-1-2-7-12(11)17-18-13/h1-8H,9H2,(H,16,19)(H,17,18).
What are the key properties of N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide?
N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 2999812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).