N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride

C17H16Cl2N4O2 — CID 71086990

IUPACN-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride
SMILESCl.N#Cc1cccc(C(=O)Nc2ccc(C3CNCCO3)cc2Cl)n1
InChIInChI=1S/C17H15ClN4O2.ClH/c18-13-8-11(16-10-20-6-7-24-16)4-5-14(13)22-17(23)15-3-1-2-12(9-19)21-15;/h1-5,8,16,20H,6-7,10H2,(H,22,23);1H
InChIKeyNJLSSWZSFZPFOW-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.94
Rot. Bonds3

About N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride

N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride (PubChem CID 71086990) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride
PubChem CID71086990
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC NameN-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride
SMILESCl.N#Cc1cccc(C(=O)Nc2ccc(C3CNCCO3)cc2Cl)n1
InChIInChI=1S/C17H15ClN4O2.ClH/c18-13-8-11(16-10-20-6-7-24-16)4-5-14(13)22-17(23)15-3-1-2-12(9-19)21-15;/h1-5,8,16,20H,6-7,10H2,(H,22,23);1H
InChIKeyNJLSSWZSFZPFOW-UHFFFAOYSA-N
XLogP2.94
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride (CID 71086990) is N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride is Cl.N#Cc1cccc(C(=O)Nc2ccc(C3CNCCO3)cc2Cl)n1.
What is the InChIKey of N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride?
The InChIKey is NJLSSWZSFZPFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2.ClH/c18-13-8-11(16-10-20-6-7-24-16)4-5-14(13)22-17(23)15-3-1-2-12(9-19)21-15;/h1-5,8,16,20H,6-7,10H2,(H,22,23);1H.
What are the key properties of N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride?
N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride has a molecular weight of 379.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 71086990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).