N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C16H14N4O2 — CID 75421617

IUPACN-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1cccc(-n2cccn2)n1
InChIInChI=1S/C16H14N4O2/c21-13-5-1-4-12(10-13)11-17-16(22)14-6-2-7-15(19-14)20-9-3-8-18-20/h1-10,21H,11H2,(H,17,22)
InChIKeySNAHAXYUGNMHRH-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.90
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 75421617) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID75421617
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1cccc(-n2cccn2)n1
InChIInChI=1S/C16H14N4O2/c21-13-5-1-4-12(10-13)11-17-16(22)14-6-2-7-15(19-14)20-9-3-8-18-20/h1-10,21H,11H2,(H,17,22)
InChIKeySNAHAXYUGNMHRH-UHFFFAOYSA-N
XLogP1.90
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 75421617) is N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is O=C(NCc1cccc(O)c1)c1cccc(-n2cccn2)n1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is SNAHAXYUGNMHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-13-5-1-4-12(10-13)11-17-16(22)14-6-2-7-15(19-14)20-9-3-8-18-20/h1-10,21H,11H2,(H,17,22).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 75421617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).