4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C18H20ClN3O2 — CID 109206834

IUPAC4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NCC3CCCO3)c2)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-12-4-5-13(9-16(12)19)22-14-6-7-20-17(10-14)18(23)21-11-15-3-2-8-24-15/h4-7,9-10,15H,2-3,8,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyGEAYEZWRKYYPTR-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.70
Rot. Bonds5

About 4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109206834) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109206834
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NCC3CCCO3)c2)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-12-4-5-13(9-16(12)19)22-14-6-7-20-17(10-14)18(23)21-11-15-3-2-8-24-15/h4-7,9-10,15H,2-3,8,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyGEAYEZWRKYYPTR-UHFFFAOYSA-N
XLogP3.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-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

4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206845
6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
4-(3-bromoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206875
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide
CID 109206872
2-(3,4-dichloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301029
4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206901
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083201
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083381

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 109206834) is 4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is Cc1ccc(Nc2ccnc(C(=O)NCC3CCCO3)c2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is GEAYEZWRKYYPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12-4-5-13(9-16(12)19)22-14-6-7-20-17(10-14)18(23)21-11-15-3-2-8-24-15/h4-7,9-10,15H,2-3,8,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109206834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).