N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide

C17H21FN4O2 — CID 128988103

IUPACN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide
SMILESCCn1ccnc1C(NC(=O)c1ccncc1F)C1CCOCC1
InChIInChI=1S/C17H21FN4O2/c1-2-22-8-7-20-16(22)15(12-4-9-24-10-5-12)21-17(23)13-3-6-19-11-14(13)18/h3,6-8,11-12,15H,2,4-5,9-10H2,1H3,(H,21,23)
InChIKeyRGBXCPRNZNZCKS-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.33
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide

N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide (PubChem CID 128988103) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide
PubChem CID128988103
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide
SMILESCCn1ccnc1C(NC(=O)c1ccncc1F)C1CCOCC1
InChIInChI=1S/C17H21FN4O2/c1-2-22-8-7-20-16(22)15(12-4-9-24-10-5-12)21-17(23)13-3-6-19-11-14(13)18/h3,6-8,11-12,15H,2,4-5,9-10H2,1H3,(H,21,23)
InChIKeyRGBXCPRNZNZCKS-UHFFFAOYSA-N
XLogP2.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-methylpyridine-3-carboxamide
CID 129351792
3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide
CID 134161548
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
CID 128988050
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide
CID 129351793
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-3-sulfonamide
CID 167794018
4-benzoyl-N-[(S)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]piperazine-1-carboxamide
CID 164638768
3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 126427323
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
CID 154736963
N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 115769013
6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine
CID 128979366
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide (CID 128988103) is N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide is CCn1ccnc1C(NC(=O)c1ccncc1F)C1CCOCC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is RGBXCPRNZNZCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-2-22-8-7-20-16(22)15(12-4-9-24-10-5-12)21-17(23)13-3-6-19-11-14(13)18/h3,6-8,11-12,15H,2,4-5,9-10H2,1H3,(H,21,23).
What are the key properties of N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide?
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 128988103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).