2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide

C22H22FN3O2S — CID 143326823

IUPAC2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide
SMILESCS(=O)c1cccc(C(CCNC(=O)c2ccnc(N)c2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H22FN3O2S/c1-29(28)19-4-2-3-16(13-19)20(15-5-7-18(23)8-6-15)10-12-26-22(27)17-9-11-25-21(24)14-17/h2-9,11,13-14,20H,10,12H2,1H3,(H2,24,25)(H,26,27)
InChIKeyZLCHMRRLPIYVQP-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.49
Rot. Bonds7

About 2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide

2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide (PubChem CID 143326823) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide
PubChem CID143326823
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide
SMILESCS(=O)c1cccc(C(CCNC(=O)c2ccnc(N)c2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H22FN3O2S/c1-29(28)19-4-2-3-16(13-19)20(15-5-7-18(23)8-6-15)10-12-26-22(27)17-9-11-25-21(24)14-17/h2-9,11,13-14,20H,10,12H2,1H3,(H2,24,25)(H,26,27)
InChIKeyZLCHMRRLPIYVQP-UHFFFAOYSA-N
XLogP3.49
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide
CID 58768975
N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide
CID 58768948
N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 58769038
N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide
CID 26881037
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide
CID 45121525
N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 58769000
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 63962518
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406
2-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 106262018
2-amino-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 62155665

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide (CID 143326823) is 2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide is CS(=O)c1cccc(C(CCNC(=O)c2ccnc(N)c2)c2ccc(F)cc2)c1.
What is the InChIKey of 2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide?
The InChIKey is ZLCHMRRLPIYVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c1-29(28)19-4-2-3-16(13-19)20(15-5-7-18(23)8-6-15)10-12-26-22(27)17-9-11-25-21(24)14-17/h2-9,11,13-14,20H,10,12H2,1H3,(H2,24,25)(H,26,27).
What are the key properties of 2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide?
2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 143326823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).