2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide

C15H17FN4O — CID 82729877

IUPAC2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide
SMILESCCc1cccnc1CNc1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C15H17FN4O/c1-2-9-4-3-5-19-14(9)8-20-13-6-10(15(18)21)12(17)7-11(13)16/h3-7,20H,2,8,17H2,1H3,(H2,18,21)
InChIKeyFOABBORJGYVCCZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.08
Rot. Bonds5

About 2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide

2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide (PubChem CID 82729877) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide
PubChem CID82729877
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide
SMILESCCc1cccnc1CNc1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C15H17FN4O/c1-2-9-4-3-5-19-14(9)8-20-13-6-10(15(18)21)12(17)7-11(13)16/h3-7,20H,2,8,17H2,1H3,(H2,18,21)
InChIKeyFOABBORJGYVCCZ-UHFFFAOYSA-N
XLogP2.08
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide
CID 107196471
4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 82740922
2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid
CID 82754906
2-bromo-4-[(3-ethyl-2-pyridinyl)methylamino]-3-fluorobenzenecarbothioamide
CID 107535317
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555
4-[(3-ethyl-2-pyridinyl)methylamino]-3,5-difluorobenzoic acid
CID 82737243
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
CID 82741369
3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide
CID 82736523
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268
4-bromo-2-[(3-ethyl-2-pyridinyl)methylamino]benzoic acid
CID 114907475
2-amino-4-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzamide
CID 63825433
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide?
The IUPAC name of 2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide (CID 82729877) is 2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide is CCc1cccnc1CNc1cc(C(N)=O)c(N)cc1F.
What is the InChIKey of 2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide?
The InChIKey is FOABBORJGYVCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-2-9-4-3-5-19-14(9)8-20-13-6-10(15(18)21)12(17)7-11(13)16/h3-7,20H,2,8,17H2,1H3,(H2,18,21).
What are the key properties of 2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide?
2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide has a molecular weight of 288.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide is sourced from PubChem (CID 82729877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).