N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide

C18H24N4O — CID 109185471

IUPACN-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)N(C)Cc2ccccc2)nc1
InChIInChI=1S/C18H24N4O/c1-21(2)12-11-19-16-9-10-17(20-13-16)18(23)22(3)14-15-7-5-4-6-8-15/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyRFTBTXOLYOFQRD-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.33
Rot. Bonds7

About N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide

N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide (PubChem CID 109185471) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide
PubChem CID109185471
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)N(C)Cc2ccccc2)nc1
InChIInChI=1S/C18H24N4O/c1-21(2)12-11-19-16-9-10-17(20-13-16)18(23)22(3)14-15-7-5-4-6-8-15/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyRFTBTXOLYOFQRD-UHFFFAOYSA-N
XLogP2.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109189121
N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
CID 109189123
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109185536
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106
N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide
CID 109189147
N-benzyl-5-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109189200
N-(2-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185554
N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 104640243
N-[3-(dimethylamino)propyl]-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104641378
5-[3-(dimethylamino)propylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109186113
5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide (CID 109185471) is N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide is CN(C)CCNc1ccc(C(=O)N(C)Cc2ccccc2)nc1.
What is the InChIKey of N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is RFTBTXOLYOFQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21(2)12-11-19-16-9-10-17(20-13-16)18(23)22(3)14-15-7-5-4-6-8-15/h4-10,13,19H,11-12,14H2,1-3H3.
What are the key properties of N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide?
N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109185471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).