N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

C23H18ClN5O2 — CID 71602992

IUPACN-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H18ClN5O2/c1-31-21-8-7-15(22(30)27-18-6-2-5-17(24)13-18)12-20(21)29-23-26-11-9-19(28-23)16-4-3-10-25-14-16/h2-14H,1H3,(H,27,30)(H,26,28,29)
InChIKeyNMMIVVLEPHGUEV-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.20
Rot. Bonds6

About N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 71602992) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
PubChem CID71602992
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC NameN-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H18ClN5O2/c1-31-21-8-7-15(22(30)27-18-6-2-5-17(24)13-18)12-20(21)29-23-26-11-9-19(28-23)16-4-3-10-25-14-16/h2-14H,1H3,(H,27,30)(H,26,28,29)
InChIKeyNMMIVVLEPHGUEV-UHFFFAOYSA-N
XLogP5.20
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide 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-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 69019170
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214457
4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide
CID 173130054
4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide
CID 173130052
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
tert-butyl N-[2-[[4-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]benzoyl]amino]phenyl]carbamate
CID 42625815
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide
CID 11625869
N-[3-(3-imidazol-1-ylpropoxy)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11295089
4-methyl-3-(prop-2-enoylamino)-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 71664306
4-chlorobenzoyl chloride;4-chloro-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;methane;4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 159152578

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (CID 71602992) is N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is NMMIVVLEPHGUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c1-31-21-8-7-15(22(30)27-18-6-2-5-17(24)13-18)12-20(21)29-23-26-11-9-19(28-23)16-4-3-10-25-14-16/h2-14H,1H3,(H,27,30)(H,26,28,29).
What are the key properties of N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 431.88 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 71602992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).