N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide

C21H15ClN4O2 — CID 22596418

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C21H15ClN4O2/c1-13-2-8-18(25-20(27)15-5-3-14(11-23)4-6-15)17(10-13)21(28)26-19-9-7-16(22)12-24-19/h2-10,12H,1H3,(H,25,27)(H,24,26,28)
InChIKeyPTFIRIIVECPRGB-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.42
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide

N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide (PubChem CID 22596418) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
PubChem CID22596418
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C21H15ClN4O2/c1-13-2-8-18(25-20(27)15-5-3-14(11-23)4-6-15)17(10-13)21(28)26-19-9-7-16(22)12-24-19/h2-10,12H,1H3,(H,25,27)(H,24,26,28)
InChIKeyPTFIRIIVECPRGB-UHFFFAOYSA-N
XLogP4.42
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-(hydroxymethyl)benzamide
CID 89432643
N-(5-bromo-2-pyridinyl)-5-chloro-2-[(4-cyanobenzoyl)amino]benzamide
CID 22601675
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 18728123
N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide
CID 142786847
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187
1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 143758587
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(2-chloro-5-methyl-3-pyridinyl)-4-cyanobenzamide
CID 102979689

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide (CID 22596418) is N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide is Cc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide?
The InChIKey is PTFIRIIVECPRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c1-13-2-8-18(25-20(27)15-5-3-14(11-23)4-6-15)17(10-13)21(28)26-19-9-7-16(22)12-24-19/h2-10,12H,1H3,(H,25,27)(H,24,26,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide?
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide has a molecular weight of 390.83 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide is sourced from PubChem (CID 22596418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).