2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide

C15H16ClN3O — CID 82741526

IUPAC2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
SMILESCCc1cccnc1CNC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H16ClN3O/c1-2-10-4-3-7-18-14(10)9-19-15(20)12-8-11(16)5-6-13(12)17/h3-8H,2,9,17H2,1H3,(H,19,20)
InChIKeyNUBCCHIMALXWSZ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.81
Rot. Bonds4

About 2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide

2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide (PubChem CID 82741526) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
PubChem CID82741526
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
SMILESCCc1cccnc1CNC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H16ClN3O/c1-2-10-4-3-7-18-14(10)9-19-15(20)12-8-11(16)5-6-13(12)17/h3-8H,2,9,17H2,1H3,(H,19,20)
InChIKeyNUBCCHIMALXWSZ-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
CID 82741369
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 82743986
2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 106994204
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555
5-chloro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309175
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106854223
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide
CID 114559709
N-[(3-ethyl-2-pyridinyl)methyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 82734476
2-amino-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63304829
N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-2-(methylamino)benzamide
CID 82733988

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide (CID 82741526) is 2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide is CCc1cccnc1CNC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide?
The InChIKey is NUBCCHIMALXWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-10-4-3-7-18-14(10)9-19-15(20)12-8-11(16)5-6-13(12)17/h3-8H,2,9,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide?
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide has a molecular weight of 289.77 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 82741526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).