N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide

C20H25N3O — CID 60611627

IUPACN-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCc1cccc(CCNC(=O)c2cccnc2N2CCCCC2)c1
InChIInChI=1S/C20H25N3O/c1-16-7-5-8-17(15-16)10-12-22-20(24)18-9-6-11-21-19(18)23-13-3-2-4-14-23/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,22,24)
InChIKeyUGYBPGSQCGNTEM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide

N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 60611627) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID60611627
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCc1cccc(CCNC(=O)c2cccnc2N2CCCCC2)c1
InChIInChI=1S/C20H25N3O/c1-16-7-5-8-17(15-16)10-12-22-20(24)18-9-6-11-21-19(18)23-13-3-2-4-14-23/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,22,24)
InChIKeyUGYBPGSQCGNTEM-UHFFFAOYSA-N
XLogP3.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55799150
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55757606
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55759344
N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119407815
2-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84575233
N-[2-(benzenesulfonyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 51123416
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide (CID 60611627) is N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide is Cc1cccc(CCNC(=O)c2cccnc2N2CCCCC2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is UGYBPGSQCGNTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-7-5-8-17(15-16)10-12-22-20(24)18-9-6-11-21-19(18)23-13-3-2-4-14-23/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,22,24).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide?
N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 60611627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).