2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide

C11H12FN5O — CID 114035047

IUPAC2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESNc1ncc(F)cc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H12FN5O/c12-7-3-9(10(13)16-4-7)11(18)15-2-1-8-5-14-6-17-8/h3-6H,1-2H2,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyWQDPTNXDFPZDSF-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.50
Rot. Bonds4

About 2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide

2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 114035047) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID114035047
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESNc1ncc(F)cc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H12FN5O/c12-7-3-9(10(13)16-4-7)11(18)15-2-1-8-5-14-6-17-8/h3-6H,1-2H2,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyWQDPTNXDFPZDSF-UHFFFAOYSA-N
XLogP0.50
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65230532
N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide
CID 114034926
5-amino-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65236991
2-(3-aminoprop-1-ynyl)-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231306
4,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65232187
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231720
3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 65236987
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 65236814
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66483968
2-amino-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-3-nitrobenzamide
CID 107123230
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide (CID 114035047) is 2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide is Nc1ncc(F)cc1C(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is WQDPTNXDFPZDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-7-3-9(10(13)16-4-7)11(18)15-2-1-8-5-14-6-17-8/h3-6H,1-2H2,(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of 2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide?
2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 114035047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).