N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide

C14H13BrN2O — CID 11838959

IUPACN-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O/c1-10(11-2-4-13(15)5-3-11)17-14(18)12-6-8-16-9-7-12/h2-10H,1H3,(H,17,18)
InChIKeyHHSMCKPYHLBNFB-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.34
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide

N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 11838959) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide
PubChem CID11838959
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O/c1-10(11-2-4-13(15)5-3-11)17-14(18)12-6-8-16-9-7-12/h2-10H,1H3,(H,17,18)
InChIKeyHHSMCKPYHLBNFB-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Enisamium Iodide
CID 10089466
Nomelidine
CID 5378630
N'-(4-bromobenzylidene)isonicotinohydrazide
CID 5332577
Norzimelidine
CID 6437872
Phenatine
CID 120640
N-[(E)-1-(4-bromophenyl)ethylideneamino]pyridine-3-carboxamide
CID 5751334
2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
CID 935612
N-(3,3-Diphenyl-propyl)-isonicotinamide
CID 5193384
Methanone, (4-bromophenyl)-4-pyridinyl-
CID 766506
N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 771963
4-Pyridinecarboxylic acid, 2-(4-bromobenzoyl)hydrazide
CID 773412
N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 882119

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide (CID 11838959) is N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is HHSMCKPYHLBNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-10(11-2-4-13(15)5-3-11)17-14(18)12-6-8-16-9-7-12/h2-10H,1H3,(H,17,18).
What are the key properties of N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide?
N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 11838959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).