5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide

C19H18N4O3 — CID 164782959

IUPAC5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)ncc2-n2cc(C=O)cn2)cc1
InChIInChI=1S/C19H18N4O3/c1-13-7-17(18(10-20-13)23-11-15(12-24)9-22-23)19(25)21-8-14-3-5-16(26-2)6-4-14/h3-7,9-12H,8H2,1-2H3,(H,21,25)
InChIKeyFNZWXATVXBRGDI-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.33
Rot. Bonds6

About 5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide

5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide (PubChem CID 164782959) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide
PubChem CID164782959
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)ncc2-n2cc(C=O)cn2)cc1
InChIInChI=1S/C19H18N4O3/c1-13-7-17(18(10-20-13)23-11-15(12-24)9-22-23)19(25)21-8-14-3-5-16(26-2)6-4-14/h3-7,9-12H,8H2,1-2H3,(H,21,25)
InChIKeyFNZWXATVXBRGDI-UHFFFAOYSA-N
XLogP2.33
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239365
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
5-methoxy-2-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 146043450
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 86928811
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 24617865
N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110851660
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242597

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of 5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide (CID 164782959) is 5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for 5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for 5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide is COc1ccc(CNC(=O)c2cc(C)ncc2-n2cc(C=O)cn2)cc1.
What is the InChIKey of 5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide?
The InChIKey is FNZWXATVXBRGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-7-17(18(10-20-13)23-11-15(12-24)9-22-23)19(25)21-8-14-3-5-16(26-2)6-4-14/h3-7,9-12H,8H2,1-2H3,(H,21,25).
What are the key properties of 5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide?
5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 164782959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).