1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide

C23H24ClN5O2 — CID 78829736

IUPAC1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCCC(C(=O)Nc4ccccc4)C3)n2)n1
InChIInChI=1S/C23H24ClN5O2/c1-15-13-16(2)29(27-15)20-11-10-19(24)21(26-20)23(31)28-12-6-7-17(14-28)22(30)25-18-8-4-3-5-9-18/h3-5,8-11,13,17H,6-7,12,14H2,1-2H3,(H,25,30)
InChIKeyNNWRLIGTKSWLAN-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.03
Rot. Bonds4

About 1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide

1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 78829736) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide
PubChem CID78829736
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCCC(C(=O)Nc4ccccc4)C3)n2)n1
InChIInChI=1S/C23H24ClN5O2/c1-15-13-16(2)29(27-15)20-11-10-19(24)21(26-20)23(31)28-12-6-7-17(14-28)22(30)25-18-8-4-3-5-9-18/h3-5,8-11,13,17H,6-7,12,14H2,1-2H3,(H,25,30)
InChIKeyNNWRLIGTKSWLAN-UHFFFAOYSA-N
XLogP4.03
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55968479
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 78829190
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 42924913
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 78866642
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 139007404
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 47045244
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 78836013

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide (CID 78829736) is 1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCCC(C(=O)Nc4ccccc4)C3)n2)n1.
What is the InChIKey of 1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is NNWRLIGTKSWLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-15-13-16(2)29(27-15)20-11-10-19(24)21(26-20)23(31)28-12-6-7-17(14-28)22(30)25-18-8-4-3-5-9-18/h3-5,8-11,13,17H,6-7,12,14H2,1-2H3,(H,25,30).
What are the key properties of 1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide?
1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 78829736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).