N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide

C18H17N5O2 — CID 110455809

IUPACN-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc2n(n1)C(c1ccccc1O)CCC2)c1ccncc1
InChIInChI=1S/C18H17N5O2/c24-15-6-2-1-4-13(15)14-5-3-7-16-20-18(22-23(14)16)21-17(25)12-8-10-19-11-9-12/h1-2,4,6,8-11,14,24H,3,5,7H2,(H,21,22,25)
InChIKeyIPVJUSMMRPMVPO-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.56
Rot. Bonds3

About N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide

N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide (PubChem CID 110455809) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide
PubChem CID110455809
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc2n(n1)C(c1ccccc1O)CCC2)c1ccncc1
InChIInChI=1S/C18H17N5O2/c24-15-6-2-1-4-13(15)14-5-3-7-16-20-18(22-23(14)16)21-17(25)12-8-10-19-11-9-12/h1-2,4,6,8-11,14,24H,3,5,7H2,(H,21,22,25)
InChIKeyIPVJUSMMRPMVPO-UHFFFAOYSA-N
XLogP2.56
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide (CID 110455809) is N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide is O=C(Nc1nc2n(n1)C(c1ccccc1O)CCC2)c1ccncc1.
What is the InChIKey of N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide?
The InChIKey is IPVJUSMMRPMVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-15-6-2-1-4-13(15)14-5-3-7-16-20-18(22-23(14)16)21-17(25)12-8-10-19-11-9-12/h1-2,4,6,8-11,14,24H,3,5,7H2,(H,21,22,25).
What are the key properties of N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide?
N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 110455809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).