6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

C21H23ClFN3O2 — CID 11200509

IUPAC6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cnc(Nc2ccc(F)c(Cl)c2)cc1C1CC1
InChIInChI=1S/C21H23ClFN3O2/c22-18-9-15(3-4-19(18)23)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27)
InChIKeyLEDLBDBLZFHFQV-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.65
Rot. Bonds6

About 6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 11200509) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
PubChem CID11200509
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC Name6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cnc(Nc2ccc(F)c(Cl)c2)cc1C1CC1
InChIInChI=1S/C21H23ClFN3O2/c22-18-9-15(3-4-19(18)23)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27)
InChIKeyLEDLBDBLZFHFQV-UHFFFAOYSA-N
XLogP4.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
2-[[5-Chloranyl-2-(Oxan-4-Ylamino)pyridin-4-Yl]amino]-N-Methyl-Benzamide
CID 91758407
2-(3,5-dichlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid N-(tetrahydropyran-4-ylmethyl)amide
CID 10049358
2-(3-chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid N-(tetrahydropyran-4-ylmethyl)amide
CID 10070428
2-(2-Fluoro-3-chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid(tetrahydro-pyran-4-ylmethyl)-amide
CID 10071498
N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 10131963
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 10290951
6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 10385575
2-(2-Fluoro-5-chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid(tetrahydro-pyran-4-ylmethyl)-amide
CID 10410589
4-cyclopropyl-6-(2,4-dichlorophenylamino)-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide
CID 11154357
6-(3-cyanoanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 11199737
4-cyclopropyl-6-(3,4-dichloroanilino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 11235490

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (CID 11200509) is 6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCOCC1)c1cnc(Nc2ccc(F)c(Cl)c2)cc1C1CC1.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LEDLBDBLZFHFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c22-18-9-15(3-4-19(18)23)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27).
What are the key properties of 6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11200509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).