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

C14H13FN4O2 — CID 107337783

IUPAC3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)Cc2ccc(N)cn2)c1
InChIInChI=1S/C14H13FN4O2/c15-11-4-1-8(14(17)21)5-12(11)19-13(20)6-10-3-2-9(16)7-18-10/h1-5,7H,6,16H2,(H2,17,21)(H,19,20)
InChIKeyNWKXMBJGZRUSFD-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.08
Rot. Bonds4

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

3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide (PubChem CID 107337783) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide
PubChem CID107337783
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)Cc2ccc(N)cn2)c1
InChIInChI=1S/C14H13FN4O2/c15-11-4-1-8(14(17)21)5-12(11)19-13(20)6-10-3-2-9(16)7-18-10/h1-5,7H,6,16H2,(H2,17,21)(H,19,20)
InChIKeyNWKXMBJGZRUSFD-UHFFFAOYSA-N
XLogP1.08
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-methylbenzamide
CID 107337787
2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide
CID 107338694
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid
CID 107338917
2-(5-amino-2-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 107337459
2-(5-amino-2-pyridinyl)-N-(2-chloro-5-fluorophenyl)acetamide
CID 107528543
2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 107337386
2-(5-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 107337468
2-(5-amino-2-pyridinyl)-N-(4-cyano-2-fluorophenyl)acetamide
CID 107339400
2-(5-amino-2-pyridinyl)-N-(2-hydroxyphenyl)acetamide
CID 107338919
2-(5-amino-2-pyridinyl)-N-(3-chloro-2-fluorophenyl)acetamide
CID 107337541
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid
CID 107338179

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide?
The IUPAC name of 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide (CID 107337783) is 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide.
What is the SMILES notation for 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide?
The canonical SMILES for 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide is NC(=O)c1ccc(F)c(NC(=O)Cc2ccc(N)cn2)c1.
What is the InChIKey of 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide?
The InChIKey is NWKXMBJGZRUSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-11-4-1-8(14(17)21)5-12(11)19-13(20)6-10-3-2-9(16)7-18-10/h1-5,7H,6,16H2,(H2,17,21)(H,19,20).
What are the key properties of 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide?
3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide has a molecular weight of 288.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide is sourced from PubChem (CID 107337783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).