N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide

C15H13BrN4O — CID 75517970

IUPACN-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCNc2cccc(Br)c2)nc1
InChIInChI=1S/C15H13BrN4O/c16-12-2-1-3-13(8-12)18-6-7-19-15(21)14-5-4-11(9-17)10-20-14/h1-5,8,10,18H,6-7H2,(H,19,21)
InChIKeySVNSEKPOWUUEPW-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.56
Rot. Bonds5

About N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide

N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide (PubChem CID 75517970) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide
PubChem CID75517970
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC NameN-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCNc2cccc(Br)c2)nc1
InChIInChI=1S/C15H13BrN4O/c16-12-2-1-3-13(8-12)18-6-7-19-15(21)14-5-4-11(9-17)10-20-14/h1-5,8,10,18H,6-7H2,(H,19,21)
InChIKeySVNSEKPOWUUEPW-UHFFFAOYSA-N
XLogP2.56
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 63719383
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
3-bromo-N-[2-(3-chloro-4-cyanoanilino)ethyl]benzamide
CID 133300528
N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 113245238
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
N-(4-bromo-2-ethylphenyl)-5-cyanopyridine-2-carboxamide
CID 81003561
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide (CID 75517970) is N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)NCCNc2cccc(Br)c2)nc1.
What is the InChIKey of N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is SVNSEKPOWUUEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-12-2-1-3-13(8-12)18-6-7-19-15(21)14-5-4-11(9-17)10-20-14/h1-5,8,10,18H,6-7H2,(H,19,21).
What are the key properties of N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide?
N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromoanilino)ethyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 75517970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).