N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide

C14H14BrN3O — CID 55046295

IUPACN-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NCc2cccc(Br)c2)cn1
InChIInChI=1S/C14H14BrN3O/c1-16-13-6-5-11(9-17-13)14(19)18-8-10-3-2-4-12(15)7-10/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyUCDGNAMCFWHNTL-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.82
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide

N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide (PubChem CID 55046295) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
PubChem CID55046295
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NCc2cccc(Br)c2)cn1
InChIInChI=1S/C14H14BrN3O/c1-16-13-6-5-11(9-17-13)14(19)18-8-10-3-2-4-12(15)7-10/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyUCDGNAMCFWHNTL-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701
6-(3-acetylanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155929
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016
N-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62243829
3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
CID 61400942
2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide
CID 115268555
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
CID 114326336
N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882
N-[(3-ethyl-2-pyridinyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 82744064
N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide
CID 126986999
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide (CID 55046295) is N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide is CNc1ccc(C(=O)NCc2cccc(Br)c2)cn1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is UCDGNAMCFWHNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-16-13-6-5-11(9-17-13)14(19)18-8-10-3-2-4-12(15)7-10/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide?
N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 55046295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).