2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide

C16H16BrN3O — CID 79705171

IUPAC2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C16H16BrN3O/c17-12-3-6-14(15(18)8-12)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h1-3,6-9,13H,4-5,10,18H2
InChIKeyJVHUKFTVQGVRPT-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.23
Rot. Bonds4

About 2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide

2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 79705171) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID79705171
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C16H16BrN3O/c17-12-3-6-14(15(18)8-12)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h1-3,6-9,13H,4-5,10,18H2
InChIKeyJVHUKFTVQGVRPT-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

2,4-diamino-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 61139944
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide
CID 79704107
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 62680434
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 79720140
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
CID 79346079
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide (CID 79705171) is 2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide is Nc1cc(Br)ccc1C(=O)N(Cc1cccnc1)C1CC1.
What is the InChIKey of 2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is JVHUKFTVQGVRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-12-3-6-14(15(18)8-12)16(21)20(13-4-5-13)10-11-2-1-7-19-9-11/h1-3,6-9,13H,4-5,10,18H2.
What are the key properties of 2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide?
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide 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 2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 79705171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).