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

C15H13ClN4O — CID 62165795

IUPACN-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1
InChIInChI=1S/C15H13ClN4O/c1-2-18-11-5-6-19-14(8-11)15(21)20-12-4-3-10(9-17)13(16)7-12/h3-8H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyWAORJOQVYQALGV-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.29
Rot. Bonds4

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

N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide (PubChem CID 62165795) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide
PubChem CID62165795
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1
InChIInChI=1S/C15H13ClN4O/c1-2-18-11-5-6-19-14(8-11)15(21)20-12-4-3-10(9-17)13(16)7-12/h3-8H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyWAORJOQVYQALGV-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-(ethylamino)pyridine-4-carboxamide
CID 62165803
N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374422
N-(3,5-dichlorophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62172602
1-(3-chloro-4-cyanophenyl)-3-ethylurea
CID 115569840
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 113255877
4-(ethylamino)-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 62181190
4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide
CID 62166120
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62241163
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
N-(3-chloro-4-cyanophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861491
4-(ethylamino)-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 62913623
N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 30730757

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide (CID 62165795) is N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide is CCNc1ccnc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide?
The InChIKey is WAORJOQVYQALGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-2-18-11-5-6-19-14(8-11)15(21)20-12-4-3-10(9-17)13(16)7-12/h3-8H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide?
N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-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)-4-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62165795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).