4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide

C16H14FN3O — CID 79043001

IUPAC4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(C#CCN)c(F)c1
InChIInChI=1S/C16H14FN3O/c1-11-15(5-3-9-19-11)20-16(21)13-7-6-12(4-2-8-18)14(17)10-13/h3,5-7,9-10H,8,18H2,1H3,(H,20,21)
InChIKeySPMCEZMDURCACM-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.09
Rot. Bonds2

About 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide

4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide (PubChem CID 79043001) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide
PubChem CID79043001
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(C#CCN)c(F)c1
InChIInChI=1S/C16H14FN3O/c1-11-15(5-3-9-19-11)20-16(21)13-7-6-12(4-2-8-18)14(17)10-13/h3,5-7,9-10H,8,18H2,1H3,(H,20,21)
InChIKeySPMCEZMDURCACM-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042973
5-(3-aminoprop-1-ynyl)-N-(2-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 79684370
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480690
3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 104780767
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79990676
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62915077
4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376185
3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
CID 79042253
4-(ethylamino)-3-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 79043080
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide (CID 79043001) is 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide is Cc1ncccc1NC(=O)c1ccc(C#CCN)c(F)c1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
The InChIKey is SPMCEZMDURCACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-15(5-3-9-19-11)20-16(21)13-7-6-12(4-2-8-18)14(17)10-13/h3,5-7,9-10H,8,18H2,1H3,(H,20,21).
What are the key properties of 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide has a molecular weight of 283.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 79043001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).