N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide

C25H24N4O2 — CID 55668766

IUPACN-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-n3nc(C)cc3C)nc2)cc1
InChIInChI=1S/C25H24N4O2/c1-18-15-19(2)29(27-18)24-14-9-21(16-26-24)25(30)28(17-20-7-5-4-6-8-20)22-10-12-23(31-3)13-11-22/h4-16H,17H2,1-3H3
InChIKeyDKLJBRWXKNOMTE-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.74
Rot. Bonds6

About N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide

N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 55668766) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID55668766
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-n3nc(C)cc3C)nc2)cc1
InChIInChI=1S/C25H24N4O2/c1-18-15-19(2)29(27-18)24-14-9-21(16-26-24)25(30)28(17-20-7-5-4-6-8-20)22-10-12-23(31-3)13-11-22/h4-16H,17H2,1-3H3
InChIKeyDKLJBRWXKNOMTE-UHFFFAOYSA-N
XLogP4.74
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
(6-methoxynaphthalen-2-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55670712
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
[1-(benzylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46459431
N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 71896744
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55705000
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 86934182
N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 134012327
6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 43069032
butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55703799
(4-methoxycarbonylphenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704944
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524167

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 55668766) is N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-n3nc(C)cc3C)nc2)cc1.
What is the InChIKey of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is DKLJBRWXKNOMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18-15-19(2)29(27-18)24-14-9-21(16-26-24)25(30)28(17-20-7-5-4-6-8-20)22-10-12-23(31-3)13-11-22/h4-16H,17H2,1-3H3.
What are the key properties of N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 55668766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).