N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine

C19H16ClF2N3O2S — CID 174161802

IUPACN-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine
SMILESCc1c(Cc2ccnc(S(C)(=O)=O)c2F)cncc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H16ClF2N3O2S/c1-11-13(7-12-5-6-24-19(18(12)22)28(2,26)27)9-23-10-17(11)25-16-4-3-14(20)8-15(16)21/h3-6,8-10,25H,7H2,1-2H3
InChIKeyKVXIJKHZFWDYAA-UHFFFAOYSA-N
MW423.87 g/mol
LogP4.45
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine

N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine (PubChem CID 174161802) has the molecular formula C19H16ClF2N3O2S and a molecular weight of 423.87 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine
PubChem CID174161802
Molecular FormulaC19H16ClF2N3O2S
Molecular Weight423.87 g/mol
Exact Mass423.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine
SMILESCc1c(Cc2ccnc(S(C)(=O)=O)c2F)cncc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H16ClF2N3O2S/c1-11-13(7-12-5-6-24-19(18(12)22)28(2,26)27)9-23-10-17(11)25-16-4-3-14(20)8-15(16)21/h3-6,8-10,25H,7H2,1-2H3
InChIKeyKVXIJKHZFWDYAA-UHFFFAOYSA-N
XLogP4.45
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.87
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[5-(4-bromo-2-fluoroanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]-N-methylsulfonylmethanesulfonamide
CID 174161666
4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
CID 174161437
4-[[3-(4-chloro-2-fluoroanilino)-2-methylphenyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine
CID 174163632
3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
CID 174161470
4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine
CID 176551898
4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine
CID 177270251
tert-butyl N-[3-fluoro-4-[[5-[2-fluoro-4-(trifluoromethyl)anilino]-4-methyl-3-pyridinyl]methyl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 174161497
4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
CID 174161455
[4-[[5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174161657
4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine
CID 174161646
tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate
CID 174161946
[4-[[3-(4-chloro-2-fluoroanilino)-2-methylphenyl]methyl]-3-fluoro-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174161821

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine (CID 174161802) is N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine is Cc1c(Cc2ccnc(S(C)(=O)=O)c2F)cncc1Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine?
The InChIKey is KVXIJKHZFWDYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O2S/c1-11-13(7-12-5-6-24-19(18(12)22)28(2,26)27)9-23-10-17(11)25-16-4-3-14(20)8-15(16)21/h3-6,8-10,25H,7H2,1-2H3.
What are the key properties of N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine?
N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine has a molecular weight of 423.87 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 174161802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).