2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

C25H32ClN5O4S — CID 138545802

IUPAC2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
SMILESCC[C@@H](C)N(CC)c1nc(-c2ccc(Cl)c(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C25H32ClN5O4S/c1-6-17(5)31(7-2)24-19(25(32)30-36(33,34)23-12-13-27-29-23)9-11-21(28-24)18-8-10-20(26)22(14-18)35-15-16(3)4/h8-14,16-17H,6-7,15H2,1-5H3,(H,27,29)(H,30,32)/t17-/m1/s1
InChIKeyDTMMSQYILGTQQT-QGZVFWFLSA-N
MW534.08 g/mol
LogP4.90
Rot. Bonds11

About 2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (PubChem CID 138545802) has the molecular formula C25H32ClN5O4S and a molecular weight of 534.08 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
PubChem CID138545802
Molecular FormulaC25H32ClN5O4S
Molecular Weight534.08 g/mol
Exact Mass533.19
IUPAC Name2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
SMILESCC[C@@H](C)N(CC)c1nc(-c2ccc(Cl)c(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C25H32ClN5O4S/c1-6-17(5)31(7-2)24-19(25(32)30-36(33,34)23-12-13-27-29-23)9-11-21(28-24)18-8-10-20(26)22(14-18)35-15-16(3)4/h8-14,16-17H,6-7,15H2,1-5H3,(H,27,29)(H,30,32)/t17-/m1/s1
InChIKeyDTMMSQYILGTQQT-QGZVFWFLSA-N
XLogP4.90
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.08
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)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 2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of 2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (CID 138545802) is 2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is CC[C@@H](C)N(CC)c1nc(-c2ccc(Cl)c(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The InChIKey is DTMMSQYILGTQQT-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H32ClN5O4S/c1-6-17(5)31(7-2)24-19(25(32)30-36(33,34)23-12-13-27-29-23)9-11-21(28-24)18-8-10-20(26)22(14-18)35-15-16(3)4/h8-14,16-17H,6-7,15H2,1-5H3,(H,27,29)(H,30,32)/t17-/m1/s1.
What are the key properties of 2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide has a molecular weight of 534.08 g/mol, XLogP of 4.90, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-butan-2-yl]-ethylamino]-6-[4-chloro-3-(2-methylpropoxy)phenyl]-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 138545802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).