N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide

C19H12Cl2N4O — CID 123596980

IUPACN-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide
SMILESN#Cc1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(Cl)cc3)nc2N)c1
InChIInChI=1S/C19H12Cl2N4O/c20-13-4-2-12(3-5-13)19(26)25-17-8-6-14(18(23)24-17)15-9-11(10-22)1-7-16(15)21/h1-9H,(H3,23,24,25,26)
InChIKeyPPLCIXNIMNBTRL-UHFFFAOYSA-N
MW383.24 g/mol
LogP4.76
Rot. Bonds3

About N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide

N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide (PubChem CID 123596980) has the molecular formula C19H12Cl2N4O and a molecular weight of 383.24 g/mol. Its IUPAC name is N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide
PubChem CID123596980
Molecular FormulaC19H12Cl2N4O
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC NameN-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide
SMILESN#Cc1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(Cl)cc3)nc2N)c1
InChIInChI=1S/C19H12Cl2N4O/c20-13-4-2-12(3-5-13)19(26)25-17-8-6-14(18(23)24-17)15-9-11(10-22)1-7-16(15)21/h1-9H,(H3,23,24,25,26)
InChIKeyPPLCIXNIMNBTRL-UHFFFAOYSA-N
XLogP4.76
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144
N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide
CID 121381941
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide
CID 161006274
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911
4-cyano-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244017
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(6-chloropyrazin-2-yl)-4-cyanobenzamide
CID 115599289
N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide
CID 22601675
N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487462
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide?
The IUPAC name of N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide (CID 123596980) is N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide.
What is the SMILES notation for N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide?
The canonical SMILES for N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide is N#Cc1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(Cl)cc3)nc2N)c1.
What is the InChIKey of N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide?
The InChIKey is PPLCIXNIMNBTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O/c20-13-4-2-12(3-5-13)19(26)25-17-8-6-14(18(23)24-17)15-9-11(10-22)1-7-16(15)21/h1-9H,(H3,23,24,25,26).
What are the key properties of N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide?
N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide has a molecular weight of 383.24 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide is sourced from PubChem (CID 123596980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).