N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

C21H27N3O — CID 109212514

IUPACN-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2CCCC(C)C2)ccn1
InChIInChI=1S/C21H27N3O/c1-3-23(16-18-9-5-4-6-10-18)21(25)20-14-19(11-12-22-20)24-13-7-8-17(2)15-24/h4-6,9-12,14,17H,3,7-8,13,15-16H2,1-2H3
InChIKeyZZLRBMBXKCFLSA-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.98
Rot. Bonds5

About N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 109212514) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID109212514
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2CCCC(C)C2)ccn1
InChIInChI=1S/C21H27N3O/c1-3-23(16-18-9-5-4-6-10-18)21(25)20-14-19(11-12-22-20)24-13-7-8-17(2)15-24/h4-6,9-12,14,17H,3,7-8,13,15-16H2,1-2H3
InChIKeyZZLRBMBXKCFLSA-UHFFFAOYSA-N
XLogP3.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208871
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 109216380
N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 94895221
4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
CID 109087072
N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide
CID 71553275
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
N-benzyl-N-ethyl-2-(3-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 11496205
4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210674
N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364114
2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide
CID 109081382
N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (CID 109212514) is N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(N2CCCC(C)C2)ccn1.
What is the InChIKey of N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is ZZLRBMBXKCFLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-23(16-18-9-5-4-6-10-18)21(25)20-14-19(11-12-22-20)24-13-7-8-17(2)15-24/h4-6,9-12,14,17H,3,7-8,13,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109212514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).