3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide

C17H22N4O — CID 22181353

IUPAC3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide
SMILESCCN(CC)C(=O)c1ccc(NCc2ccncc2)c(N)c1
InChIInChI=1S/C17H22N4O/c1-3-21(4-2)17(22)14-5-6-16(15(18)11-14)20-12-13-7-9-19-10-8-13/h5-11,20H,3-4,12,18H2,1-2H3
InChIKeyHJAVBVBHNSTBJC-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.76
Rot. Bonds6

About 3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide

3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide (PubChem CID 22181353) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide
PubChem CID22181353
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide
SMILESCCN(CC)C(=O)c1ccc(NCc2ccncc2)c(N)c1
InChIInChI=1S/C17H22N4O/c1-3-21(4-2)17(22)14-5-6-16(15(18)11-14)20-12-13-7-9-19-10-8-13/h5-11,20H,3-4,12,18H2,1-2H3
InChIKeyHJAVBVBHNSTBJC-UHFFFAOYSA-N
XLogP2.76
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282
1-[3-amino-4-[(4-methylphenyl)methylamino]phenyl]ethanone
CID 82482011
4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
CID 43738745
3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide
CID 22181380
3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43449150
N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191623
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]-2-hydroxyethanone
CID 70645632
(2R)-2-[[2-amino-4-(diethylcarbamoyl)anilino]methyl]piperidine-1-carboxylic acid
CID 69052821

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of 3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide (CID 22181353) is 3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for 3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for 3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide is CCN(CC)C(=O)c1ccc(NCc2ccncc2)c(N)c1.
What is the InChIKey of 3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is HJAVBVBHNSTBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-21(4-2)17(22)14-5-6-16(15(18)11-14)20-12-13-7-9-19-10-8-13/h5-11,20H,3-4,12,18H2,1-2H3.
What are the key properties of 3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide?
3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 298.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 22181353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).