N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide

C32H34FN5O4S — CID 121252132

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(c4ccccc4)CC3C)n2)c1
InChIInChI=1S/C32H34FN5O4S/c1-20(2)19-42-26-16-23(15-25(33)17-26)28-13-12-27(32(39)37-43(40,41)30-11-7-10-29(34)36-30)31(35-28)38-18-24(14-21(38)3)22-8-5-4-6-9-22/h4-13,15-17,20-21,24H,14,18-19H2,1-3H3,(H2,34,36)(H,37,39)
InChIKeyYFCGOWDEWATKBR-UHFFFAOYSA-N
MW603.72 g/mol
LogP5.40
Rot. Bonds9

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121252132) has the molecular formula C32H34FN5O4S and a molecular weight of 603.72 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121252132
Molecular FormulaC32H34FN5O4S
Molecular Weight603.72 g/mol
Exact Mass603.23
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(c4ccccc4)CC3C)n2)c1
InChIInChI=1S/C32H34FN5O4S/c1-20(2)19-42-26-16-23(15-25(33)17-26)28-13-12-27(32(39)37-43(40,41)30-11-7-10-29(34)36-30)31(35-28)38-18-24(14-21(38)3)22-8-5-4-6-9-22/h4-13,15-17,20-21,24H,14,18-19H2,1-3H3,(H2,34,36)(H,37,39)
InChIKeyYFCGOWDEWATKBR-UHFFFAOYSA-N
XLogP5.40
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.72
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121252132) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(c4ccccc4)CC3C)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is YFCGOWDEWATKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O4S/c1-20(2)19-42-26-16-23(15-25(33)17-26)28-13-12-27(32(39)37-43(40,41)30-11-7-10-29(34)36-30)31(35-28)38-18-24(14-21(38)3)22-8-5-4-6-9-22/h4-13,15-17,20-21,24H,14,18-19H2,1-3H3,(H2,34,36)(H,37,39).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 603.72 g/mol, XLogP of 5.40, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121252132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).