N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide

C20H15Cl2N3O3 — CID 1369114

IUPACN-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)c(Cl)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3O3/c1-28-18-10-16(24-20(27)13-3-2-8-23-11-13)15(22)9-17(18)25-19(26)12-4-6-14(21)7-5-12/h2-11H,1H3,(H,24,27)(H,25,26)
InChIKeyQSIINGANCNGOON-UHFFFAOYSA-N
MW416.26 g/mol
LogP4.90
Rot. Bonds5

About N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide

N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 1369114) has the molecular formula C20H15Cl2N3O3 and a molecular weight of 416.26 g/mol. Its IUPAC name is N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide
PubChem CID1369114
Molecular FormulaC20H15Cl2N3O3
Molecular Weight416.26 g/mol
Exact Mass415.05
IUPAC NameN-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)c(Cl)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3O3/c1-28-18-10-16(24-20(27)13-3-2-8-23-11-13)15(22)9-17(18)25-19(26)12-4-6-14(21)7-5-12/h2-11H,1H3,(H,24,27)(H,25,26)
InChIKeyQSIINGANCNGOON-UHFFFAOYSA-N
XLogP4.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]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-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide (CID 1369114) is N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2)c(Cl)cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is QSIINGANCNGOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3/c1-28-18-10-16(24-20(27)13-3-2-8-23-11-13)15(22)9-17(18)25-19(26)12-4-6-14(21)7-5-12/h2-11H,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide?
N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 416.26 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(4-chlorobenzoyl)amino]-5-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1369114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).