2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide

C21H24FN3O2 — CID 166254372

IUPAC2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCOC(c2ccc(F)cc2)C1)c1ccnc(NC2CCC2)c1
InChIInChI=1S/C21H24FN3O2/c22-16-6-4-14(5-7-16)19-13-18(9-11-27-19)25-21(26)15-8-10-23-20(12-15)24-17-2-1-3-17/h4-8,10,12,17-19H,1-3,9,11,13H2,(H,23,24)(H,25,26)
InChIKeyOMBONNISCWJSBB-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.84
Rot. Bonds5

About 2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide

2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide (PubChem CID 166254372) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide
PubChem CID166254372
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCOC(c2ccc(F)cc2)C1)c1ccnc(NC2CCC2)c1
InChIInChI=1S/C21H24FN3O2/c22-16-6-4-14(5-7-16)19-13-18(9-11-27-19)25-21(26)15-8-10-23-20(12-15)24-17-2-1-3-17/h4-8,10,12,17-19H,1-3,9,11,13H2,(H,23,24)(H,25,26)
InChIKeyOMBONNISCWJSBB-UHFFFAOYSA-N
XLogP3.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide
CID 97353435
N-[(2S,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide
CID 97353433
sodium 4,5-difluoro-2-[[2-(4-fluorophenyl)oxan-4-yl]carbamoyl]benzoate
CID 167779269
5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 130188063
2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 43610330
2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257
4-[[2-(4-fluorophenyl)oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122009820
N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167551
2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 166254401
1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea
CID 99601199
2-(ethylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 62170267
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide (CID 166254372) is 2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide is O=C(NC1CCOC(c2ccc(F)cc2)C1)c1ccnc(NC2CCC2)c1.
What is the InChIKey of 2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide?
The InChIKey is OMBONNISCWJSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-16-6-4-14(5-7-16)19-13-18(9-11-27-19)25-21(26)15-8-10-23-20(12-15)24-17-2-1-3-17/h4-8,10,12,17-19H,1-3,9,11,13H2,(H,23,24)(H,25,26).
What are the key properties of 2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide?
2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 166254372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).