N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide

C15H13ClN4O — CID 104641827

IUPACN-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)Nc2cc(C#N)ccc2Cl)nc1
InChIInChI=1S/C15H13ClN4O/c1-2-18-11-4-6-13(19-9-11)15(21)20-14-7-10(8-17)3-5-12(14)16/h3-7,9,18H,2H2,1H3,(H,20,21)
InChIKeySLBQSAXKDYTGTR-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.29
Rot. Bonds4

About N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide

N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide (PubChem CID 104641827) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide
PubChem CID104641827
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)Nc2cc(C#N)ccc2Cl)nc1
InChIInChI=1S/C15H13ClN4O/c1-2-18-11-4-6-13(19-9-11)15(21)20-14-7-10(8-17)3-5-12(14)16/h3-7,9,18H,2H2,1H3,(H,20,21)
InChIKeySLBQSAXKDYTGTR-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-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624713
N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641780
N-(5-chloro-2-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640210
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104641096
N-(2,5-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639934
N-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949
2-amino-5-chloro-N-(2-chloro-5-cyanophenyl)pyridine-4-carboxamide
CID 114924132
4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81245335
5-(ethylamino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 104640059
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 63719479

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide (CID 104641827) is N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(C(=O)Nc2cc(C#N)ccc2Cl)nc1.
What is the InChIKey of N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide?
The InChIKey is SLBQSAXKDYTGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-2-18-11-4-6-13(19-9-11)15(21)20-14-7-10(8-17)3-5-12(14)16/h3-7,9,18H,2H2,1H3,(H,20,21).
What are the key properties of N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide?
N-(2-chloro-5-cyanophenyl)-5-(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-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).