4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide

C27H30FN5O4S — CID 58440001

IUPAC4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(c1cccc(F)c1CNc1cc(Cc2ccc(N3CCCCC3=O)cc2)ncc1C(N)=O)S(C)(=O)=O
InChIInChI=1S/C27H30FN5O4S/c1-32(38(2,36)37)25-7-5-6-23(28)21(25)16-31-24-15-19(30-17-22(24)27(29)35)14-18-9-11-20(12-10-18)33-13-4-3-8-26(33)34/h5-7,9-12,15,17H,3-4,8,13-14,16H2,1-2H3,(H2,29,35)(H,30,31)
InChIKeyDIKCZRODBPBGHV-UHFFFAOYSA-N
MW539.63 g/mol
LogP3.44
Rot. Bonds9

About 4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide

4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 58440001) has the molecular formula C27H30FN5O4S and a molecular weight of 539.63 g/mol. Its IUPAC name is 4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID58440001
Molecular FormulaC27H30FN5O4S
Molecular Weight539.63 g/mol
Exact Mass539.20
IUPAC Name4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(c1cccc(F)c1CNc1cc(Cc2ccc(N3CCCCC3=O)cc2)ncc1C(N)=O)S(C)(=O)=O
InChIInChI=1S/C27H30FN5O4S/c1-32(38(2,36)37)25-7-5-6-23(28)21(25)16-31-24-15-19(30-17-22(24)27(29)35)14-18-9-11-20(12-10-18)33-13-4-3-8-26(33)34/h5-7,9-12,15,17H,3-4,8,13-14,16H2,1-2H3,(H2,29,35)(H,30,31)
InChIKeyDIKCZRODBPBGHV-UHFFFAOYSA-N
XLogP3.44
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.63
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide (CID 58440001) is 4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide is CN(c1cccc(F)c1CNc1cc(Cc2ccc(N3CCCCC3=O)cc2)ncc1C(N)=O)S(C)(=O)=O.
What is the InChIKey of 4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is DIKCZRODBPBGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O4S/c1-32(38(2,36)37)25-7-5-6-23(28)21(25)16-31-24-15-19(30-17-22(24)27(29)35)14-18-9-11-20(12-10-18)33-13-4-3-8-26(33)34/h5-7,9-12,15,17H,3-4,8,13-14,16H2,1-2H3,(H2,29,35)(H,30,31).
What are the key properties of 4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 539.63 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-6-[methyl(methylsulfonyl)amino]phenyl]methylamino]-6-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58440001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).