2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide

C16H14N4O — CID 106753513

IUPAC2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)ccn1
InChIInChI=1S/C16H14N4O/c1-11-9-13(5-7-17-11)16(21)19-14-4-2-3-12(10-14)15-6-8-18-20-15/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyKTZKFTMHMNWKLK-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.03
Rot. Bonds3

About 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide

2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide (PubChem CID 106753513) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
PubChem CID106753513
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)ccn1
InChIInChI=1S/C16H14N4O/c1-11-9-13(5-7-17-11)16(21)19-14-4-2-3-12(10-14)15-6-8-18-20-15/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyKTZKFTMHMNWKLK-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 43073751
N-[3-(1H-pyrazol-5-yl)phenyl]furan-2-carboxamide
CID 37044226
5-fluoro-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 146075209
4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 37044281
4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 66335716
N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide
CID 106752978
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106754268
3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 107518369
2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
N-[3-[[4-(prop-2-enoylamino)benzoyl]amino]phenyl]-3-(1H-pyrazol-5-yl)benzamide
CID 139478873
methyl 2,4-dimethyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46602095

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide (CID 106753513) is 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)ccn1.
What is the InChIKey of 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is KTZKFTMHMNWKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-9-13(5-7-17-11)16(21)19-14-4-2-3-12(10-14)15-6-8-18-20-15/h2-10H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide?
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 106753513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).