N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide

C16H14FN3O — CID 104780767

IUPACN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(F)c(C#CCN)c1
InChIInChI=1S/C16H14FN3O/c1-11-14(5-3-9-19-11)16(21)20-13-6-7-15(17)12(10-13)4-2-8-18/h3,5-7,9-10H,8,18H2,1H3,(H,20,21)
InChIKeyUDMBXZXWJYOCPX-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.09
Rot. Bonds2

About N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide

N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide (PubChem CID 104780767) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
PubChem CID104780767
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(F)c(C#CCN)c1
InChIInChI=1S/C16H14FN3O/c1-11-14(5-3-9-19-11)16(21)20-13-6-7-15(17)12(10-13)4-2-8-18/h3,5-7,9-10H,8,18H2,1H3,(H,20,21)
InChIKeyUDMBXZXWJYOCPX-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

N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822227
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide
CID 63334015
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 104780566
2-(3-aminoprop-1-ynyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 60822368
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-methylthiophene-3-carboxamide
CID 79807484
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
CID 104786329
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79043001
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide
CID 104780831
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methoxyacetamide
CID 113452395
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
CID 104780865
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802094
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-ethylthiophene-2-carboxamide
CID 104780839

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide (CID 104780767) is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)Nc1ccc(F)c(C#CCN)c1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is UDMBXZXWJYOCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-14(5-3-9-19-11)16(21)20-13-6-7-15(17)12(10-13)4-2-8-18/h3,5-7,9-10H,8,18H2,1H3,(H,20,21).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide?
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide 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 N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 104780767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).