5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide

C18H24N4O — CID 109194672

IUPAC5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-5-22(6-2)18(23)17-12-9-15(13-19-17)20-14-7-10-16(11-8-14)21(3)4/h7-13,20H,5-6H2,1-4H3
InChIKeyIOUAWWGXYIVYSN-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.37
Rot. Bonds6

About 5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide

5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide (PubChem CID 109194672) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
PubChem CID109194672
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-5-22(6-2)18(23)17-12-9-15(13-19-17)20-14-7-10-16(11-8-14)21(3)4/h7-13,20H,5-6H2,1-4H3
InChIKeyIOUAWWGXYIVYSN-UHFFFAOYSA-N
XLogP3.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181155
5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194687
5-(2,6-dichloroanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194702
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 109194689
N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109194634
5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194683
N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109194712
N-ethyl-5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642611
N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide
CID 109179984
N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide
CID 104639781
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide (CID 109194672) is 5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccc(N(C)C)cc2)cn1.
What is the InChIKey of 5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is IOUAWWGXYIVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-22(6-2)18(23)17-12-9-15(13-19-17)20-14-7-10-16(11-8-14)21(3)4/h7-13,20H,5-6H2,1-4H3.
What are the key properties of 5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide?
5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109194672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).