N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide

C19H23FN4OS — CID 141165513

IUPACN-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide
SMILESCSc1cccc(Nc2ncc(F)cc2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C19H23FN4OS/c1-26-16-4-2-3-15(10-16)23-18-17(9-12(20)11-22-18)19(25)24-14-7-5-13(21)6-8-14/h2-4,9-11,13-14H,5-8,21H2,1H3,(H,22,23)(H,24,25)
InChIKeyCWYZIQIKURCAIZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.69
Rot. Bonds5

About N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide

N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide (PubChem CID 141165513) has the molecular formula C19H23FN4OS and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide
PubChem CID141165513
Molecular FormulaC19H23FN4OS
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC NameN-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide
SMILESCSc1cccc(Nc2ncc(F)cc2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C19H23FN4OS/c1-26-16-4-2-3-15(10-16)23-18-17(9-12(20)11-22-18)19(25)24-14-7-5-13(21)6-8-14/h2-4,9-11,13-14H,5-8,21H2,1H3,(H,22,23)(H,24,25)
InChIKeyCWYZIQIKURCAIZ-UHFFFAOYSA-N
XLogP3.69
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide (CID 141165513) is N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide is CSc1cccc(Nc2ncc(F)cc2C(=O)NC2CCC(N)CC2)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide?
The InChIKey is CWYZIQIKURCAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4OS/c1-26-16-4-2-3-15(10-16)23-18-17(9-12(20)11-22-18)19(25)24-14-7-5-13(21)6-8-14/h2-4,9-11,13-14H,5-8,21H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide?
N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-fluoro-2-(3-methylsulfanylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 141165513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).