1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide

C18H24ClN5O — CID 126781633

IUPAC1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1nc(C)c(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)c1C
InChIInChI=1S/C18H24ClN5O/c1-4-24-13(3)17(12(2)22-24)21-18(25)14-7-9-23(10-8-14)16-6-5-15(19)11-20-16/h5-6,11,14H,4,7-10H2,1-3H3,(H,21,25)
InChIKeyFLACSNOAUXPQJW-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.42
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 126781633) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID126781633
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1nc(C)c(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)c1C
InChIInChI=1S/C18H24ClN5O/c1-4-24-13(3)17(12(2)22-24)21-18(25)14-7-9-23(10-8-14)16-6-5-15(19)11-20-16/h5-6,11,14H,4,7-10H2,1-3H3,(H,21,25)
InChIKeyFLACSNOAUXPQJW-UHFFFAOYSA-N
XLogP3.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60581329
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide
CID 99817294
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687718
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-(5-chloro-2-pyridinyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55687112
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38969415

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide (CID 126781633) is 1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide is CCn1nc(C)c(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)c1C.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is FLACSNOAUXPQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-4-24-13(3)17(12(2)22-24)21-18(25)14-7-9-23(10-8-14)16-6-5-15(19)11-20-16/h5-6,11,14H,4,7-10H2,1-3H3,(H,21,25).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 361.88 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 126781633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).