3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide

C16H19N3O — CID 63210058

IUPAC3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
SMILESCCCNc1ccc(C(=O)Nc2cccnc2)cc1C
InChIInChI=1S/C16H19N3O/c1-3-8-18-15-7-6-13(10-12(15)2)16(20)19-14-5-4-9-17-11-14/h4-7,9-11,18H,3,8H2,1-2H3,(H,19,20)
InChIKeyYNNCVGAUNXLALR-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.46
Rot. Bonds5

About 3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide

3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide (PubChem CID 63210058) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
PubChem CID63210058
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
SMILESCCCNc1ccc(C(=O)Nc2cccnc2)cc1C
InChIInChI=1S/C16H19N3O/c1-3-8-18-15-7-6-13(10-12(15)2)16(20)19-14-5-4-9-17-11-14/h4-7,9-11,18H,3,8H2,1-2H3,(H,19,20)
InChIKeyYNNCVGAUNXLALR-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-3-methyl-N-pyridin-3-ylbenzamide
CID 63212144
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
CID 63210151
3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide
CID 63214108
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
CID 63210683
4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide
CID 66634725
1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide
CID 145363454
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
CID 55107885
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589993

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide (CID 63210058) is 3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide is CCCNc1ccc(C(=O)Nc2cccnc2)cc1C.
What is the InChIKey of 3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide?
The InChIKey is YNNCVGAUNXLALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-8-18-15-7-6-13(10-12(15)2)16(20)19-14-5-4-9-17-11-14/h4-7,9-11,18H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide?
3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide has a molecular weight of 269.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 63210058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).