3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide

C15H18N4O — CID 82988367

IUPAC3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
SMILESCNC(=O)c1ccc(NC(C)c2cccnc2)c(N)c1
InChIInChI=1S/C15H18N4O/c1-10(12-4-3-7-18-9-12)19-14-6-5-11(8-13(14)16)15(20)17-2/h3-10,19H,16H2,1-2H3,(H,17,20)
InChIKeyKGPWTMOTNFJTOL-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide

3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide (PubChem CID 82988367) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
PubChem CID82988367
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
SMILESCNC(=O)c1ccc(NC(C)c2cccnc2)c(N)c1
InChIInChI=1S/C15H18N4O/c1-10(12-4-3-7-18-9-12)19-14-6-5-11(8-13(14)16)15(20)17-2/h3-10,19H,16H2,1-2H3,(H,17,20)
InChIKeyKGPWTMOTNFJTOL-UHFFFAOYSA-N
XLogP2.20
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661
4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 63360788
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
CID 82991478
3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
CID 82989046
N,2-dimethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 43734586
3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid
CID 81439571
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
3-amino-N-methyl-4-[1-(2H-tetrazol-5-yl)ethylamino]benzamide
CID 82989343

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide (CID 82988367) is 3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide is CNC(=O)c1ccc(NC(C)c2cccnc2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide?
The InChIKey is KGPWTMOTNFJTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(12-4-3-7-18-9-12)19-14-6-5-11(8-13(14)16)15(20)17-2/h3-10,19H,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide?
3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide has a molecular weight of 270.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide is sourced from PubChem (CID 82988367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).