N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C26H32FN5O4S — CID 131965463

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCCN(c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1)C(C)C
InChIInChI=1S/C26H32FN5O4S/c1-6-32(17(4)5)25-21(26(33)31-37(34,35)24-9-7-8-23(28)30-24)10-11-22(29-25)18-12-19(27)14-20(13-18)36-15-16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H2,28,30)(H,31,33)
InChIKeyFOWMKCNCTPCABS-UHFFFAOYSA-N
MW529.64 g/mol
LogP4.25
Rot. Bonds10

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 131965463) has the molecular formula C26H32FN5O4S and a molecular weight of 529.64 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
PubChem CID131965463
Molecular FormulaC26H32FN5O4S
Molecular Weight529.64 g/mol
Exact Mass529.22
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCCN(c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1)C(C)C
InChIInChI=1S/C26H32FN5O4S/c1-6-32(17(4)5)25-21(26(33)31-37(34,35)24-9-7-8-23(28)30-24)10-11-22(29-25)18-12-19(27)14-20(13-18)36-15-16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H2,28,30)(H,31,33)
InChIKeyFOWMKCNCTPCABS-UHFFFAOYSA-N
XLogP4.25
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 54.25
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]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 131965463) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CCN(c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1)C(C)C.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is FOWMKCNCTPCABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O4S/c1-6-32(17(4)5)25-21(26(33)31-37(34,35)24-9-7-8-23(28)30-24)10-11-22(29-25)18-12-19(27)14-20(13-18)36-15-16(2)3/h7-14,16-17H,6,15H2,1-5H3,(H2,28,30)(H,31,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 529.64 g/mol, XLogP of 4.25, 10 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]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 131965463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).