N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

C24H29N5O — CID 86901727

IUPACN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3ccc(N4CCC(C)CC4)nc3)c2)n1
InChIInChI=1S/C24H29N5O/c1-17-9-11-28(12-10-17)23-8-7-21(15-25-23)24(30)26-22-6-4-5-20(14-22)16-29-19(3)13-18(2)27-29/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,26,30)
InChIKeyKNSOBIOLMAJEEY-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.43
Rot. Bonds5

About N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 86901727) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID86901727
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3ccc(N4CCC(C)CC4)nc3)c2)n1
InChIInChI=1S/C24H29N5O/c1-17-9-11-28(12-10-17)23-8-7-21(15-25-23)24(30)26-22-6-4-5-20(14-22)16-29-19(3)13-18(2)27-29/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,26,30)
InChIKeyKNSOBIOLMAJEEY-UHFFFAOYSA-N
XLogP4.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 95617250
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 86901731
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474017
(1R,2S,3S,4R)-3-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99773966
(1R,2R,3S,4R)-3-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124864826
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152591
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
CID 48985971
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 86902514
1-cyclopropyl-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-(2-hydroxyethyl)urea
CID 111110138
N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 106910952
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 86901727) is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)c3ccc(N4CCC(C)CC4)nc3)c2)n1.
What is the InChIKey of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is KNSOBIOLMAJEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-9-11-28(12-10-17)23-8-7-21(15-25-23)24(30)26-22-6-4-5-20(14-22)16-29-19(3)13-18(2)27-29/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,26,30).
What are the key properties of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 86901727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).