2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide

C15H16BrN3O — CID 103754203

IUPAC2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C15H16BrN3O/c1-19(2)10-11-5-7-12(8-6-11)18-15(20)13-4-3-9-17-14(13)16/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyDIMKFDNSXSHMOD-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.16
Rot. Bonds4

About 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide

2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 103754203) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID103754203
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2cccnc2Br)cc1
InChIInChI=1S/C15H16BrN3O/c1-19(2)10-11-5-7-12(8-6-11)18-15(20)13-4-3-9-17-14(13)16/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyDIMKFDNSXSHMOD-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
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-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 80973223
2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide
CID 103751975
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 103752362
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 103752494
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide (CID 103754203) is 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide is CN(C)Cc1ccc(NC(=O)c2cccnc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is DIMKFDNSXSHMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(2)10-11-5-7-12(8-6-11)18-15(20)13-4-3-9-17-14(13)16/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 103754203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).