N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride

C21H16Cl2N4O3 — CID 66609683

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.Cl
InChIInChI=1S/C21H15ClN4O3.ClH/c1-29-16-7-8-18(25-20(27)14-4-2-13(11-23)3-5-14)17(10-16)21(28)26-19-9-6-15(22)12-24-19;/h2-10,12H,1H3,(H,25,27)(H,24,26,28);1H
InChIKeyAAOFVYUBIRCAKM-UHFFFAOYSA-N
MW443.29 g/mol
LogP4.54
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride

N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride (PubChem CID 66609683) has the molecular formula C21H16Cl2N4O3 and a molecular weight of 443.29 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride
PubChem CID66609683
Molecular FormulaC21H16Cl2N4O3
Molecular Weight443.29 g/mol
Exact Mass442.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.Cl
InChIInChI=1S/C21H15ClN4O3.ClH/c1-29-16-7-8-18(25-20(27)14-4-2-13(11-23)3-5-14)17(10-16)21(28)26-19-9-6-15(22)12-24-19;/h2-10,12H,1H3,(H,25,27)(H,24,26,28);1H
InChIKeyAAOFVYUBIRCAKM-UHFFFAOYSA-N
XLogP4.54
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride (CID 66609683) is N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride is COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.Cl.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride?
The InChIKey is AAOFVYUBIRCAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3.ClH/c1-29-16-7-8-18(25-20(27)14-4-2-13(11-23)3-5-14)17(10-16)21(28)26-19-9-6-15(22)12-24-19;/h2-10,12H,1H3,(H,25,27)(H,24,26,28);1H.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride?
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride has a molecular weight of 443.29 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide;hydrochloride is sourced from PubChem (CID 66609683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).