N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

C23H26ClN5O — CID 78784946

IUPACN-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3CCN(Cc4ccccc4)CC3)n2)n1
InChIInChI=1S/C23H26ClN5O/c1-16-14-17(2)29(27-16)21-9-8-20(24)22(26-21)23(30)25-19-10-12-28(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,25,30)
InChIKeyJLJHKFGDBXRQTB-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.93
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 78784946) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
PubChem CID78784946
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3CCN(Cc4ccccc4)CC3)n2)n1
InChIInChI=1S/C23H26ClN5O/c1-16-14-17(2)29(27-16)21-9-8-20(24)22(26-21)23(30)25-19-10-12-28(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,25,30)
InChIKeyJLJHKFGDBXRQTB-UHFFFAOYSA-N
XLogP3.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide
CID 78901571
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 112826428
3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 119620338
N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 112811193
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[2-(aminomethyl)cyclohexyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 120615887
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 55360910
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 134000627
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 78785341
3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 138998057
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-naphthalen-2-yloxyethyl)pyridine-2-carboxamide
CID 112800686

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 78784946) is N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3CCN(Cc4ccccc4)CC3)n2)n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is JLJHKFGDBXRQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c1-16-14-17(2)29(27-16)21-9-8-20(24)22(26-21)23(30)25-19-10-12-28(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,25,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 423.95 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 78784946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).