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

C17H18FN3O — CID 58919696

IUPAC3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1cc(-c2cc(C(=O)NC3CC3)cc(F)c2C)ncc1N
InChIInChI=1S/C17H18FN3O/c1-9-5-16(20-8-15(9)19)13-6-11(7-14(18)10(13)2)17(22)21-12-3-4-12/h5-8,12H,3-4,19H2,1-2H3,(H,21,22)
InChIKeyKPRHKUVRWAFVDK-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.98
Rot. Bonds3

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

3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide (PubChem CID 58919696) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
PubChem CID58919696
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1cc(-c2cc(C(=O)NC3CC3)cc(F)c2C)ncc1N
InChIInChI=1S/C17H18FN3O/c1-9-5-16(20-8-15(9)19)13-6-11(7-14(18)10(13)2)17(22)21-12-3-4-12/h5-8,12H,3-4,19H2,1-2H3,(H,21,22)
InChIKeyKPRHKUVRWAFVDK-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
CID 58919712
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide
CID 68680738
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide
CID 135283535
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide
CID 58919704
3-bromo-N-cyclopropyl-5-fluoro-4-methylbenzamide;3-fluoro-4-methylbenzoic acid
CID 161026057
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid
CID 150226068
3-bromo-N-cyclopropyl-4,5-dimethylbenzamide
CID 18457798
6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 174478722
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 143308745

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide (CID 58919696) is 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide is Cc1cc(-c2cc(C(=O)NC3CC3)cc(F)c2C)ncc1N.
What is the InChIKey of 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The InChIKey is KPRHKUVRWAFVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-9-5-16(20-8-15(9)19)13-6-11(7-14(18)10(13)2)17(22)21-12-3-4-12/h5-8,12H,3-4,19H2,1-2H3,(H,21,22).
What are the key properties of 3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide?
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide has a molecular weight of 299.35 g/mol, XLogP of 2.98, 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-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 58919696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).