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

C15H16BrN3O — CID 81242957

IUPACN-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C15H16BrN3O/c1-3-18-13-6-7-17-9-12(13)15(20)19-14-8-11(16)5-4-10(14)2/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXLKCRPXADRPRRF-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.84
Rot. Bonds4

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

N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 81242957) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide
PubChem CID81242957
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C15H16BrN3O/c1-3-18-13-6-7-17-9-12(13)15(20)19-14-8-11(16)5-4-10(14)2/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXLKCRPXADRPRRF-UHFFFAOYSA-N
XLogP3.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 81236730
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236092
N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81235699
4-(ethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81235983
N-(3-bromo-4-chlorophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81245404
N-(2,6-dimethyl-3-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81245038
4-(ethylamino)-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81233596
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105069309
4-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 81236169

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide (CID 81242957) is N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)Nc1cc(Br)ccc1C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is XLKCRPXADRPRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-3-18-13-6-7-17-9-12(13)15(20)19-14-8-11(16)5-4-10(14)2/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide?
N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81242957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).