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

C13H13BrN4O — CID 103754100

IUPAC2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cccnc2Br)cn1
InChIInChI=1S/C13H13BrN4O/c1-18(2)11-6-5-9(8-16-11)17-13(19)10-4-3-7-15-12(10)14/h3-8H,1-2H3,(H,17,19)
InChIKeyYVRLJMDAGRLTPX-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.56
Rot. Bonds3

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

2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 103754100) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID103754100
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cccnc2Br)cn1
InChIInChI=1S/C13H13BrN4O/c1-18(2)11-6-5-9(8-16-11)17-13(19)10-4-3-7-15-12(10)14/h3-8H,1-2H3,(H,17,19)
InChIKeyYVRLJMDAGRLTPX-UHFFFAOYSA-N
XLogP2.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.56
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-amino-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 61215269
2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid
CID 60941938
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 103752362
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 103754203
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide
CID 46699592
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 115645650
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 103758959

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide (CID 103754100) is 2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2cccnc2Br)cn1.
What is the InChIKey of 2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is YVRLJMDAGRLTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-18(2)11-6-5-9(8-16-11)17-13(19)10-4-3-7-15-12(10)14/h3-8H,1-2H3,(H,17,19).
What are the key properties of 2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide?
2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 103754100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).