N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide

C16H14N4O2 — CID 4298773

IUPACN-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C16H14N4O2/c1-22-14-5-2-4-13(10-14)19-16(21)12-6-7-15(17-11-12)20-9-3-8-18-20/h2-11H,1H3,(H,19,21)
InChIKeyLZOLMWKLRVHXBY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.53
Rot. Bonds4

About N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide

N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 4298773) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID4298773
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C16H14N4O2/c1-22-14-5-2-4-13(10-14)19-16(21)12-6-7-15(17-11-12)20-9-3-8-18-20/h2-11H,1H3,(H,19,21)
InChIKeyLZOLMWKLRVHXBY-UHFFFAOYSA-N
XLogP2.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide (CID 4298773) is N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide is COc1cccc(NC(=O)c2ccc(-n3cccn3)nc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is LZOLMWKLRVHXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-14-5-2-4-13(10-14)19-16(21)12-6-7-15(17-11-12)20-9-3-8-18-20/h2-11H,1H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 4298773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).