2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide

C14H14BrN3O — CID 103755974

IUPAC2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H14BrN3O/c1-2-18(10-12-5-3-4-7-16-12)14(19)11-6-8-17-13(15)9-11/h3-9H,2,10H2,1H3
InChIKeyCEQVEMAUXCBAHK-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.90
Rot. Bonds4

About 2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide

2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 103755974) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID103755974
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H14BrN3O/c1-2-18(10-12-5-3-4-7-16-12)14(19)11-6-8-17-13(15)9-11/h3-9H,2,10H2,1H3
InChIKeyCEQVEMAUXCBAHK-UHFFFAOYSA-N
XLogP2.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
CID 103751876
4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
CID 50948158
3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 81094441
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
5-amino-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81316352
N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 75504350
N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624431
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625
N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 103741244
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide
CID 106752308

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (CID 103755974) is 2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide is CCN(Cc1ccccn1)C(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is CEQVEMAUXCBAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-2-18(10-12-5-3-4-7-16-12)14(19)11-6-8-17-13(15)9-11/h3-9H,2,10H2,1H3.
What are the key properties of 2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 103755974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).