5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide

C17H22N4O — CID 109185536

IUPAC5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)N(C)c2ccccc2)nc1
InChIInChI=1S/C17H22N4O/c1-20(2)12-11-18-14-9-10-16(19-13-14)17(22)21(3)15-7-5-4-6-8-15/h4-10,13,18H,11-12H2,1-3H3
InChIKeyKFJHUDUGZMKRMJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.33
Rot. Bonds6

About 5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide

5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide (PubChem CID 109185536) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
PubChem CID109185536
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)N(C)c2ccccc2)nc1
InChIInChI=1S/C17H22N4O/c1-20(2)12-11-18-14-9-10-16(19-13-14)17(22)21(3)15-7-5-4-6-8-15/h4-10,13,18H,11-12H2,1-3H3
InChIKeyKFJHUDUGZMKRMJ-UHFFFAOYSA-N
XLogP2.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
N-benzyl-5-[2-(dimethylamino)ethylamino]-N-methylpyridine-2-carboxamide
CID 109185471
5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109193694
N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109188298
N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191642
5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197567
5-(4-acetylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197604
N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104640621
N-(2-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185554
5-(3,5-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197632
5-(2-ethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197592
methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109197609

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide (CID 109185536) is 5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide is CN(C)CCNc1ccc(C(=O)N(C)c2ccccc2)nc1.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
The InChIKey is KFJHUDUGZMKRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20(2)12-11-18-14-9-10-16(19-13-14)17(22)21(3)15-7-5-4-6-8-15/h4-10,13,18H,11-12H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide?
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109185536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).