6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide

C15H16BrN3O — CID 103890041

IUPAC6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCCN(Cc1cccc(C)n1)C(=O)c1cccc(Br)n1
InChIInChI=1S/C15H16BrN3O/c1-3-19(10-12-7-4-6-11(2)17-12)15(20)13-8-5-9-14(16)18-13/h4-9H,3,10H2,1-2H3
InChIKeyDYIABPRXWHADEX-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.21
Rot. Bonds4

About 6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide

6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 103890041) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID103890041
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCCN(Cc1cccc(C)n1)C(=O)c1cccc(Br)n1
InChIInChI=1S/C15H16BrN3O/c1-3-19(10-12-7-4-6-11(2)17-12)15(20)13-8-5-9-14(16)18-13/h4-9H,3,10H2,1-2H3
InChIKeyDYIABPRXWHADEX-UHFFFAOYSA-N
XLogP3.21
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.21
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

3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 107519162
N-ethyl-2-fluoro-6-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104918138
6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889846
N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide
CID 43458715
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 114145142
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115686651
N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide
CID 71860017
(2R)-2-amino-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pentanamide
CID 113267614
(2S)-3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-hydroxypropanoic acid
CID 107840515
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 103889658
2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 116678469
3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106110338

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide (CID 103890041) is 6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide is CCN(Cc1cccc(C)n1)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is DYIABPRXWHADEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-3-19(10-12-7-4-6-11(2)17-12)15(20)13-8-5-9-14(16)18-13/h4-9H,3,10H2,1-2H3.
What are the key properties of 6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103890041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).