N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide

C12H13FN4O — CID 154879514

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cccnc1F
InChIInChI=1S/C12H13FN4O/c1-2-17-7-6-14-10(17)8-16-12(18)9-4-3-5-15-11(9)13/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyMPEMDHADFIIWAD-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.37
Rot. Bonds4

About N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide

N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide (PubChem CID 154879514) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
PubChem CID154879514
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cccnc1F
InChIInChI=1S/C12H13FN4O/c1-2-17-7-6-14-10(17)8-16-12(18)9-4-3-5-15-11(9)13/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyMPEMDHADFIIWAD-UHFFFAOYSA-N
XLogP1.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 154880576
2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 62351342
2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110475162
N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
CID 107358822
2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 107358475
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 107358701
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 42596150

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide (CID 154879514) is N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide is CCn1ccnc1CNC(=O)c1cccnc1F.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
The InChIKey is MPEMDHADFIIWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-2-17-7-6-14-10(17)8-16-12(18)9-4-3-5-15-11(9)13/h3-7H,2,8H2,1H3,(H,16,18).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 154879514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).