1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C18H24ClN5O — CID 136525947

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(Cc3c(C)nn(C)c3Cl)C2)n1
InChIInChI=1S/C18H24ClN5O/c1-12-6-4-8-16(20-12)21-18(25)14-7-5-9-24(10-14)11-15-13(2)22-23(3)17(15)19/h4,6,8,14H,5,7,9-11H2,1-3H3,(H,20,21,25)
InChIKeyTWKUZPFNXLCEMG-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.94
Rot. Bonds4

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 136525947) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID136525947
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(Cc3c(C)nn(C)c3Cl)C2)n1
InChIInChI=1S/C18H24ClN5O/c1-12-6-4-8-16(20-12)21-18(25)14-7-5-9-24(10-14)11-15-13(2)22-23(3)17(15)19/h4,6,8,14H,5,7,9-11H2,1-3H3,(H,20,21,25)
InChIKeyTWKUZPFNXLCEMG-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47525319
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 54920320
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136519485
N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 87008642
1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55813659
(3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94535153
(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94821180
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride
CID 120898680
1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56814486
N-(6-methyl-2-pyridinyl)-1-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
CID 87021590
methyl 2-methyl-5-[[3-[(6-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 78903955

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 136525947) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(Cc3c(C)nn(C)c3Cl)C2)n1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is TWKUZPFNXLCEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-12-6-4-8-16(20-12)21-18(25)14-7-5-9-24(10-14)11-15-13(2)22-23(3)17(15)19/h4,6,8,14H,5,7,9-11H2,1-3H3,(H,20,21,25).
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 361.88 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 136525947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).