1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

C23H21N5O3 — CID 166182010

IUPAC1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1-n1cc(C(=O)Nc2ccn(Cc3ccncc3)n2)ccc1=O
InChIInChI=1S/C23H21N5O3/c1-16-3-5-20(31-2)19(13-16)28-15-18(4-6-22(28)29)23(30)25-21-9-12-27(26-21)14-17-7-10-24-11-8-17/h3-13,15H,14H2,1-2H3,(H,25,26,30)
InChIKeyQKXSDSDVANJYMZ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.05
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 166182010) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID166182010
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1-n1cc(C(=O)Nc2ccn(Cc3ccncc3)n2)ccc1=O
InChIInChI=1S/C23H21N5O3/c1-16-3-5-20(31-2)19(13-16)28-15-18(4-6-22(28)29)23(30)25-21-9-12-27(26-21)14-17-7-10-24-11-8-17/h3-13,15H,14H2,1-2H3,(H,25,26,30)
InChIKeyQKXSDSDVANJYMZ-UHFFFAOYSA-N
XLogP3.05
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methylbenzoic acid;4-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 163685789
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide
CID 51101879
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400902
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 51101500
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
3,4-dimethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286906
4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide
CID 51101878
5-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19404949
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (CID 166182010) is 1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is COc1ccc(C)cc1-n1cc(C(=O)Nc2ccn(Cc3ccncc3)n2)ccc1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is QKXSDSDVANJYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-16-3-5-20(31-2)19(13-16)28-15-18(4-6-22(28)29)23(30)25-21-9-12-27(26-21)14-17-7-10-24-11-8-17/h3-13,15H,14H2,1-2H3,(H,25,26,30).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-6-oxo-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166182010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).