2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

C12H14FN5O — CID 105384706

IUPAC2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)NCCCn2ccnc2)c1F
InChIInChI=1S/C12H14FN5O/c13-10-9(2-4-16-11(10)14)12(19)17-3-1-6-18-7-5-15-8-18/h2,4-5,7-8H,1,3,6H2,(H2,14,16)(H,17,19)
InChIKeyONERQHUOXCTKLP-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.82
Rot. Bonds5

About 2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 105384706) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
PubChem CID105384706
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)NCCCn2ccnc2)c1F
InChIInChI=1S/C12H14FN5O/c13-10-9(2-4-16-11(10)14)12(19)17-3-1-6-18-7-5-15-8-18/h2,4-5,7-8H,1,3,6H2,(H2,14,16)(H,17,19)
InChIKeyONERQHUOXCTKLP-UHFFFAOYSA-N
XLogP0.82
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384707
5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 89368560
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105385347
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
CID 107075037
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (CID 105384706) is 2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide is Nc1nccc(C(=O)NCCCn2ccnc2)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is ONERQHUOXCTKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c13-10-9(2-4-16-11(10)14)12(19)17-3-1-6-18-7-5-15-8-18/h2,4-5,7-8H,1,3,6H2,(H2,14,16)(H,17,19).
What are the key properties of 2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105384706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).