N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide

C16H14N4O — CID 110482049

IUPACN-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3ccncc3)c2)cn1
InChIInChI=1S/C16H14N4O/c1-20-11-14(10-18-20)13-3-2-4-15(9-13)19-16(21)12-5-7-17-8-6-12/h2-11H,1H3,(H,19,21)
InChIKeyYQBASEKMWSSDQU-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.73
Rot. Bonds3

About N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide

N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide (PubChem CID 110482049) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
PubChem CID110482049
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
SMILESCn1cc(-c2cccc(NC(=O)c3ccncc3)c2)cn1
InChIInChI=1S/C16H14N4O/c1-20-11-14(10-18-20)13-3-2-4-15(9-13)19-16(21)12-5-7-17-8-6-12/h2-11H,1H3,(H,19,21)
InChIKeyYQBASEKMWSSDQU-UHFFFAOYSA-N
XLogP2.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480979
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide
CID 110478051
N-methyl-3-(1-methylpyrazol-4-yl)aniline
CID 106505763
4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide
CID 110479939
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167899065
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide (CID 110482049) is N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide is Cn1cc(-c2cccc(NC(=O)c3ccncc3)c2)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is YQBASEKMWSSDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-20-11-14(10-18-20)13-3-2-4-15(9-13)19-16(21)12-5-7-17-8-6-12/h2-11H,1H3,(H,19,21).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide?
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 110482049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).