N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide

C25H31ClN4O — CID 170669647

IUPACN-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC2C(C)(C)C(N(C)c3ccc(C#N)c(Cl)c3)C2(C)C)cn1
InChIInChI=1S/C25H31ClN4O/c1-15(2)20-11-9-17(14-28-20)21(31)29-22-24(3,4)23(25(22,5)6)30(7)18-10-8-16(13-27)19(26)12-18/h8-12,14-15,22-23H,1-7H3,(H,29,31)
InChIKeyWSNIDLTUDKGFCK-UHFFFAOYSA-N
MW439.00 g/mol
LogP5.40
Rot. Bonds5

About N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide

N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide (PubChem CID 170669647) has the molecular formula C25H31ClN4O and a molecular weight of 439.00 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide
PubChem CID170669647
Molecular FormulaC25H31ClN4O
Molecular Weight439.00 g/mol
Exact Mass438.22
IUPAC NameN-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC2C(C)(C)C(N(C)c3ccc(C#N)c(Cl)c3)C2(C)C)cn1
InChIInChI=1S/C25H31ClN4O/c1-15(2)20-11-9-17(14-28-20)21(31)29-22-24(3,4)23(25(22,5)6)30(7)18-10-8-16(13-27)19(26)12-18/h8-12,14-15,22-23H,1-7H3,(H,29,31)
InChIKeyWSNIDLTUDKGFCK-UHFFFAOYSA-N
XLogP5.40
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-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

Related Compounds

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-methylpyridine-3-carboxamide;ethane
CID 142409450
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[methyl(propyl)amino]pyridine-3-carboxamide
CID 135296462
N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide
CID 153454114
2-chloro-N-[3-(3-chloro-4-cyanophenoxy)-2,2,4-trimethyl-4-propan-2-ylcyclobutyl]pyrimidine-5-carboxamide
CID 171070771
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985777
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-(4-formylpiperidin-1-yl)pyridine-3-carboxamide
CID 162688899
2-chloro-4-hydroxybenzonitrile;2-chloro-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide
CID 171070915
4-(5-bromo-2-pyridinyl)-N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]benzamide
CID 176982652
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-propan-2-yloxyphenyl)benzamide
CID 118881635
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176982690
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-(5-hydroxypent-3-ynyl)pyrimidine-5-carboxamide
CID 176983408
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176983546

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide (CID 170669647) is N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide is CC(C)c1ccc(C(=O)NC2C(C)(C)C(N(C)c3ccc(C#N)c(Cl)c3)C2(C)C)cn1.
What is the InChIKey of N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide?
The InChIKey is WSNIDLTUDKGFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O/c1-15(2)20-11-9-17(14-28-20)21(31)29-22-24(3,4)23(25(22,5)6)30(7)18-10-8-16(13-27)19(26)12-18/h8-12,14-15,22-23H,1-7H3,(H,29,31).
What are the key properties of N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide?
N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide has a molecular weight of 439.00 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 170669647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).