6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide

C18H24N4O — CID 109153781

IUPAC6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCN(C)C)nc1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-4-22(16-8-6-5-7-9-16)18(23)15-10-11-17(20-14-15)19-12-13-21(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,20)
InChIKeyIEIYSLSISTUXOX-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.72
Rot. Bonds7

About 6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide

6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide (PubChem CID 109153781) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide
PubChem CID109153781
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCN(C)C)nc1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-4-22(16-8-6-5-7-9-16)18(23)15-10-11-17(20-14-15)19-12-13-21(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,20)
InChIKeyIEIYSLSISTUXOX-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160792
6-[2-(dimethylamino)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109153766
6-[2-(dimethylamino)ethylamino]-N,N-dipropylpyridine-3-carboxamide
CID 109153775
6-[2-(dimethylamino)ethylamino]-N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 11976421
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
6-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109162941
N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161223
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263537
N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255731

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide (CID 109153781) is 6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide is CCN(C(=O)c1ccc(NCCN(C)C)nc1)c1ccccc1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide?
The InChIKey is IEIYSLSISTUXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22(16-8-6-5-7-9-16)18(23)15-10-11-17(20-14-15)19-12-13-21(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,20).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide?
6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109153781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).