N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide

C16H16BrN3O — CID 62960207

IUPACN-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
SMILESNc1cccc(CN(C(=O)c2ccc(Br)cn2)C2CC2)c1
InChIInChI=1S/C16H16BrN3O/c17-12-4-7-15(19-9-12)16(21)20(14-5-6-14)10-11-2-1-3-13(18)8-11/h1-4,7-9,14H,5-6,10,18H2
InChIKeyJKUWGPKHYBWHQQ-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.23
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide

N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide (PubChem CID 62960207) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
PubChem CID62960207
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC NameN-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
SMILESNc1cccc(CN(C(=O)c2ccc(Br)cn2)C2CC2)c1
InChIInChI=1S/C16H16BrN3O/c17-12-4-7-15(19-9-12)16(21)20(14-5-6-14)10-11-2-1-3-13(18)8-11/h1-4,7-9,14H,5-6,10,18H2
InChIKeyJKUWGPKHYBWHQQ-UHFFFAOYSA-N
XLogP3.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 62954767
N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 63086101
N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215763
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 122131882
N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
CID 79112080
2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
CID 60875903
N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 66129017
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
CID 43460769

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide (CID 62960207) is N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide is Nc1cccc(CN(C(=O)c2ccc(Br)cn2)C2CC2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is JKUWGPKHYBWHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-12-4-7-15(19-9-12)16(21)20(14-5-6-14)10-11-2-1-3-13(18)8-11/h1-4,7-9,14H,5-6,10,18H2.
What are the key properties of N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide?
N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 346.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 62960207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).