N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide

C14H13BrClN3O — CID 104641780

IUPACN-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(Cl)c(Br)c2)nc1
InChIInChI=1S/C14H13BrClN3O/c1-2-17-10-4-6-13(18-8-10)14(20)19-9-3-5-12(16)11(15)7-9/h3-8,17H,2H2,1H3,(H,19,20)
InChIKeyHYONOOMOGASESP-UHFFFAOYSA-N
MW354.64 g/mol
LogP4.18
Rot. Bonds4

About N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide

N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide (PubChem CID 104641780) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide
PubChem CID104641780
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC NameN-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(Cl)c(Br)c2)nc1
InChIInChI=1S/C14H13BrClN3O/c1-2-17-10-4-6-13(18-8-10)14(20)19-9-3-5-12(16)11(15)7-9/h3-8,17H,2H2,1H3,(H,19,20)
InChIKeyHYONOOMOGASESP-UHFFFAOYSA-N
XLogP4.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937
N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641623
N-(3-bromo-4-chlorophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81245404
N-(2-bromo-4-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640072
3-bromo-4-chloro-N-ethylaniline;hydrochloride
CID 68626677
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181373
N-(5-bromopyrazin-2-yl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641632
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641827
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
N-(5-chloro-2-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640210

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide (CID 104641780) is N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(C(=O)Nc2ccc(Cl)c(Br)c2)nc1.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide?
The InChIKey is HYONOOMOGASESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-2-17-10-4-6-13(18-8-10)14(20)19-9-3-5-12(16)11(15)7-9/h3-8,17H,2H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide?
N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide has a molecular weight of 354.64 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).