N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride

C15H17ClN2O — CID 110755487

IUPACN-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)c1cccnc1.Cl
InChIInChI=1S/C15H16N2O.ClH/c1-2-17(12-13-7-4-3-5-8-13)15(18)14-9-6-10-16-11-14;/h3-11H,2,12H2,1H3;1H
InChIKeyWCSXLIVJWDPYOY-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.17
Rot. Bonds4

About N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride

N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride (PubChem CID 110755487) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
PubChem CID110755487
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)c1cccnc1.Cl
InChIInChI=1S/C15H16N2O.ClH/c1-2-17(12-13-7-4-3-5-8-13)15(18)14-9-6-10-16-11-14;/h3-11H,2,12H2,1H3;1H
InChIKeyWCSXLIVJWDPYOY-UHFFFAOYSA-N
XLogP3.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 42796236
N-benzylpyridine-3-carbohydrazide;hydrochloride
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N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate
CID 101149304
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
N,N-dibenzylpyridine-3-carbothioamide
CID 125491069
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
N-benzyl-N-ethylisoquinoline-8-carboxamide
CID 110851851
N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
CID 110648244
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride (CID 110755487) is N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride is CCN(Cc1ccccc1)C(=O)c1cccnc1.Cl.
What is the InChIKey of N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride?
The InChIKey is WCSXLIVJWDPYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.ClH/c1-2-17(12-13-7-4-3-5-8-13)15(18)14-9-6-10-16-11-14;/h3-11H,2,12H2,1H3;1H.
What are the key properties of N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride?
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110755487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).