N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C29H36FN5O4S — CID 121250817

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC[C@@H]3C(C)(C)C)n2)c1
InChIInChI=1S/C29H36FN5O4S/c1-18(2)17-39-21-15-19(14-20(30)16-21)23-12-11-22(27(32-23)35-13-7-8-24(35)29(3,4)5)28(36)34-40(37,38)26-10-6-9-25(31)33-26/h6,9-12,14-16,18,24H,7-8,13,17H2,1-5H3,(H2,31,33)(H,34,36)/t24-/m1/s1
InChIKeyKPTVWYJWZMGKQR-XMMPIXPASA-N
MW569.70 g/mol
LogP5.03
Rot. Bonds8

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121250817) has the molecular formula C29H36FN5O4S and a molecular weight of 569.70 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
PubChem CID121250817
Molecular FormulaC29H36FN5O4S
Molecular Weight569.70 g/mol
Exact Mass569.25
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC[C@@H]3C(C)(C)C)n2)c1
InChIInChI=1S/C29H36FN5O4S/c1-18(2)17-39-21-15-19(14-20(30)16-21)23-12-11-22(27(32-23)35-13-7-8-24(35)29(3,4)5)28(36)34-40(37,38)26-10-6-9-25(31)33-26/h6,9-12,14-16,18,24H,7-8,13,17H2,1-5H3,(H2,31,33)(H,34,36)/t24-/m1/s1
InChIKeyKPTVWYJWZMGKQR-XMMPIXPASA-N
XLogP5.03
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.70
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]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 N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121250817) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC[C@@H]3C(C)(C)C)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is KPTVWYJWZMGKQR-XMMPIXPASA-N. The full InChI is InChI=1S/C29H36FN5O4S/c1-18(2)17-39-21-15-19(14-20(30)16-21)23-12-11-22(27(32-23)35-13-7-8-24(35)29(3,4)5)28(36)34-40(37,38)26-10-6-9-25(31)33-26/h6,9-12,14-16,18,24H,7-8,13,17H2,1-5H3,(H2,31,33)(H,34,36)/t24-/m1/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 569.70 g/mol, XLogP of 5.03, 8 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-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121250817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).