2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C24H30ClN3O2 — CID 42868248

IUPAC2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCO2)c(C2CCN(Cc3ccccc3Cl)CC2)n1
InChIInChI=1S/C24H30ClN3O2/c1-17-8-9-21(24(29)26-15-20-6-4-14-30-20)23(27-17)18-10-12-28(13-11-18)16-19-5-2-3-7-22(19)25/h2-3,5,7-9,18,20H,4,6,10-16H2,1H3,(H,26,29)
InChIKeyXQUUNYCTCQTAMK-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.33
Rot. Bonds6

About 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 42868248) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID42868248
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCO2)c(C2CCN(Cc3ccccc3Cl)CC2)n1
InChIInChI=1S/C24H30ClN3O2/c1-17-8-9-21(24(29)26-15-20-6-4-14-30-20)23(27-17)18-10-12-28(13-11-18)16-19-5-2-3-7-22(19)25/h2-3,5,7-9,18,20H,4,6,10-16H2,1H3,(H,26,29)
InChIKeyXQUUNYCTCQTAMK-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46069191
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide
CID 42868312
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105538
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
1-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 18160340
5-[1-[(2-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 26318628
2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46069186
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068676
3-[(2-chlorophenyl)methyl]-7-oxo-N-[[(2S)-oxolan-2-yl]methyl]-6H-triazolo[4,5-d]pyrimidine-5-carboxamide
CID 135624135
2-[(2-chlorophenyl)methylamino]-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 6986382
N-[(2-chlorophenyl)methyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324545
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068699

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 42868248) is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCC2CCCO2)c(C2CCN(Cc3ccccc3Cl)CC2)n1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is XQUUNYCTCQTAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-17-8-9-21(24(29)26-15-20-6-4-14-30-20)23(27-17)18-10-12-28(13-11-18)16-19-5-2-3-7-22(19)25/h2-3,5,7-9,18,20H,4,6,10-16H2,1H3,(H,26,29).
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 427.98 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42868248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).