6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide

C22H26FN3O2 — CID 68680738

IUPAC6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)NC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)nc1
InChIInChI=1S/C22H26FN3O2/c1-4-16(5-2)25-21(27)14-6-9-20(24-12-14)18-10-15(11-19(23)13(18)3)22(28)26-17-7-8-17/h6,9-12,16-17H,4-5,7-8H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyCJADNGHARCVQSY-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.01
Rot. Bonds7

About 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide

6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide (PubChem CID 68680738) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide
PubChem CID68680738
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)NC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)nc1
InChIInChI=1S/C22H26FN3O2/c1-4-16(5-2)25-21(27)14-6-9-20(24-12-14)18-10-15(11-19(23)13(18)3)22(28)26-17-7-8-17/h6,9-12,16-17H,4-5,7-8H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyCJADNGHARCVQSY-UHFFFAOYSA-N
XLogP4.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide
CID 135283535
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 58919696
6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid
CID 150226068
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-[5-[[3-[4-(2,2-dimethylpropylcarbamoyl)-2-propoxyphenyl]-5-fluoro-4-methylbenzoyl]amino]-2,4-dimethylhexan-2-yl]pyridine-3-carboxamide
CID 135294113
6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 174478722
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide
CID 58919704
6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 90899545
N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 135283637
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2-methylbutan-2-yl)-1-oxidopyridin-1-ium-3-carboxamide
CID 11689842
ethane;methyl 3-[5-(2,2-dimethylpropylcarbamoyl)-2-pyridinyl]-5-fluoro-4-methylbenzoate
CID 143691455
N-cyclopropyl-3-(1-ethylsulfonylindazol-5-yl)-5-fluoro-4-methylbenzamide
CID 58656518
N-cyclopropyl-3-fluoro-4-methyl-5-(4-propanoyl-3H-azepin-7-yl)benzamide;hexane
CID 142273840

Frequently Asked Questions

What is the IUPAC name of 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide?
The IUPAC name of 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide (CID 68680738) is 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide is CCC(CC)NC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)nc1.
What is the InChIKey of 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide?
The InChIKey is CJADNGHARCVQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-4-16(5-2)25-21(27)14-6-9-20(24-12-14)18-10-15(11-19(23)13(18)3)22(28)26-17-7-8-17/h6,9-12,16-17H,4-5,7-8H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide?
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 68680738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).