6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide

C15H17BrN4O — CID 103910107

IUPAC6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(Br)n2)cn1
InChIInChI=1S/C15H17BrN4O/c1-3-20(4-2)14-9-8-11(10-17-14)18-15(21)12-6-5-7-13(16)19-12/h5-10H,3-4H2,1-2H3,(H,18,21)
InChIKeyAUQFVVYGVMKNOV-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.34
Rot. Bonds5

About 6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide

6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 103910107) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID103910107
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(Br)n2)cn1
InChIInChI=1S/C15H17BrN4O/c1-3-20(4-2)14-9-8-11(10-17-14)18-15(21)12-6-5-7-13(16)19-12/h5-10H,3-4H2,1-2H3,(H,18,21)
InChIKeyAUQFVVYGVMKNOV-UHFFFAOYSA-N
XLogP3.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119845933
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
4-chloro-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 60785572
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide
CID 170719912
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282
6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 103875193
N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394
N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide
CID 55843504
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide (CID 103910107) is 6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cccc(Br)n2)cn1.
What is the InChIKey of 6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is AUQFVVYGVMKNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-3-20(4-2)14-9-8-11(10-17-14)18-15(21)12-6-5-7-13(16)19-12/h5-10H,3-4H2,1-2H3,(H,18,21).
What are the key properties of 6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide?
6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 103910107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).