N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide

C18H22ClN5O2 — CID 166248157

IUPACN-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCCn1ncc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1C
InChIInChI=1S/C18H22ClN5O2/c1-3-24-12(2)15(11-21-24)18(26)23-8-6-13(7-9-23)17(25)22-16-5-4-14(19)10-20-16/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,20,22,25)
InChIKeyVQBVDFHDTYEESQ-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.75
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 166248157) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID166248157
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCCn1ncc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1C
InChIInChI=1S/C18H22ClN5O2/c1-3-24-12(2)15(11-21-24)18(26)23-8-6-13(7-9-23)17(25)22-16-5-4-14(19)10-20-16/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,20,22,25)
InChIKeyVQBVDFHDTYEESQ-UHFFFAOYSA-N
XLogP2.75
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide
CID 55930636
N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
CID 55812719
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55813120
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(5-chloro-2-pyridinyl)-1-(4-fluoro-2-iodobenzoyl)piperidine-4-carboxamide
CID 55925189
1-(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55924033
N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78903847
N-(5-chloro-2-pyridinyl)-1-[2-(4-fluorobenzoyl)benzoyl]piperidine-4-carboxamide
CID 55924923
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide (CID 166248157) is N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide is CCn1ncc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is VQBVDFHDTYEESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-3-24-12(2)15(11-21-24)18(26)23-8-6-13(7-9-23)17(25)22-16-5-4-14(19)10-20-16/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,20,22,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 166248157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).