3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide

C17H19N3O — CID 58919712

IUPAC3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1cc(-c2cc(C(=O)NC3CC3)ccc2C)ncc1N
InChIInChI=1S/C17H19N3O/c1-10-3-4-12(17(21)20-13-5-6-13)8-14(10)16-7-11(2)15(18)9-19-16/h3-4,7-9,13H,5-6,18H2,1-2H3,(H,20,21)
InChIKeyXKZSWUUQUHJTCM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.84
Rot. Bonds3

About 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide

3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide (PubChem CID 58919712) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
PubChem CID58919712
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
SMILESCc1cc(-c2cc(C(=O)NC3CC3)ccc2C)ncc1N
InChIInChI=1S/C17H19N3O/c1-10-3-4-12(17(21)20-13-5-6-13)8-14(10)16-7-11(2)15(18)9-19-16/h3-4,7-9,13H,5-6,18H2,1-2H3,(H,20,21)
InChIKeyXKZSWUUQUHJTCM-UHFFFAOYSA-N
XLogP2.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 58919696
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide
CID 134325490
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide
CID 11314984
3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide
CID 100623628
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide (CID 58919712) is 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide is Cc1cc(-c2cc(C(=O)NC3CC3)ccc2C)ncc1N.
What is the InChIKey of 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide?
The InChIKey is XKZSWUUQUHJTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-3-4-12(17(21)20-13-5-6-13)8-14(10)16-7-11(2)15(18)9-19-16/h3-4,7-9,13H,5-6,18H2,1-2H3,(H,20,21).
What are the key properties of 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide?
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 58919712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).