N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide

C15H13ClN4O — CID 62165803

IUPACN-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccn1
InChIInChI=1S/C15H13ClN4O/c1-2-18-14-7-10(5-6-19-14)15(21)20-12-4-3-11(9-17)13(16)8-12/h3-8H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyWNYSLSLTHLOPBE-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.29
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide

N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide (PubChem CID 62165803) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide
PubChem CID62165803
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccn1
InChIInChI=1S/C15H13ClN4O/c1-2-18-14-7-10(5-6-19-14)15(21)20-12-4-3-11(9-17)13(16)8-12/h3-8H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyWNYSLSLTHLOPBE-UHFFFAOYSA-N
XLogP3.29
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62241163
N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62165795
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374422
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 113255877
2-(ethylamino)-N-(4-iodophenyl)pyridine-4-carboxamide
CID 62166650
N-[4-(dimethylamino)phenyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62168755
N-(4-bromo-2,6-dichlorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166855
N-(2-chloro-4-methylphenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62165610
1-(3-chloro-4-cyanophenyl)-3-ethylurea
CID 115569840
N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 107578271
4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
CID 26699911

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide (CID 62165803) is N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccn1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide?
The InChIKey is WNYSLSLTHLOPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-2-18-14-7-10(5-6-19-14)15(21)20-12-4-3-11(9-17)13(16)8-12/h3-8H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide?
N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62165803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).