1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide

C11H12FN5O — CID 107595032

IUPAC1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2ccncc2F)c1
InChIInChI=1S/C11H12FN5O/c12-8-5-14-3-1-9(8)16-11(18)10-6-17(4-2-13)7-15-10/h1,3,5-7H,2,4,13H2,(H,14,16,18)
InChIKeyUUZGMWGBMJKCMU-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.63
Rot. Bonds4

About 1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide (PubChem CID 107595032) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide
PubChem CID107595032
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2ccncc2F)c1
InChIInChI=1S/C11H12FN5O/c12-8-5-14-3-1-9(8)16-11(18)10-6-17(4-2-13)7-15-10/h1,3,5-7H,2,4,13H2,(H,14,16,18)
InChIKeyUUZGMWGBMJKCMU-UHFFFAOYSA-N
XLogP0.63
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide
CID 107496029
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-fluorobenzoic acid
CID 107496656
1-(2-aminoethyl)-N-(4-bromo-3-fluorophenyl)imidazole-4-carboxamide
CID 107499002
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide
CID 107499813
1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
CID 107496371
1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide
CID 107499209
1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
CID 107495632
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123
1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
CID 107499984

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide (CID 107595032) is 1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide is NCCn1cnc(C(=O)Nc2ccncc2F)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide?
The InChIKey is UUZGMWGBMJKCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-8-5-14-3-1-9(8)16-11(18)10-6-17(4-2-13)7-15-10/h1,3,5-7H,2,4,13H2,(H,14,16,18).
What are the key properties of 1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 107595032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).