5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide

C14H14BrN3O2 — CID 62990194

IUPAC5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(N)ccc2Br)ccn1
InChIInChI=1S/C14H14BrN3O2/c1-20-13-6-9(4-5-17-13)8-18-14(19)11-7-10(16)2-3-12(11)15/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyKVLXOACMOREJIA-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.36
Rot. Bonds4

About 5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide

5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (PubChem CID 62990194) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
PubChem CID62990194
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(N)ccc2Br)ccn1
InChIInChI=1S/C14H14BrN3O2/c1-20-13-6-9(4-5-17-13)8-18-14(19)11-7-10(16)2-3-12(11)15/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyKVLXOACMOREJIA-UHFFFAOYSA-N
XLogP2.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242051
5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide
CID 62990349
4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 82783281
6-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62073001
methyl 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzoate
CID 62990167
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
2-amino-6-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 81394679
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
CID 62990733
5-[[(5-amino-2-bromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 115297449
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (CID 62990194) is 5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide is COc1cc(CNC(=O)c2cc(N)ccc2Br)ccn1.
What is the InChIKey of 5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The InChIKey is KVLXOACMOREJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-13-6-9(4-5-17-13)8-18-14(19)11-7-10(16)2-3-12(11)15/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide has a molecular weight of 336.19 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 62990194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).