5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide

C18H22F3N3O4 — CID 90203798

IUPAC5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)CC1(NC(=O)c2cc(O[C@@](C)(F)C(F)F)c(C3CC3)cn2)COC1
InChIInChI=1S/C18H22F3N3O4/c1-17(21,16(19)20)28-13-5-12(23-7-11(13)10-3-4-10)15(26)24-18(8-27-9-18)6-14(25)22-2/h5,7,10,16H,3-4,6,8-9H2,1-2H3,(H,22,25)(H,24,26)/t17-/m1/s1
InChIKeyCZMQVWFVOYYUQA-QGZVFWFLSA-N
MW401.39 g/mol
LogP1.92
Rot. Bonds8

About 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide

5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 90203798) has the molecular formula C18H22F3N3O4 and a molecular weight of 401.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
PubChem CID90203798
Molecular FormulaC18H22F3N3O4
Molecular Weight401.39 g/mol
Exact Mass401.16
IUPAC Name5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)CC1(NC(=O)c2cc(O[C@@](C)(F)C(F)F)c(C3CC3)cn2)COC1
InChIInChI=1S/C18H22F3N3O4/c1-17(21,16(19)20)28-13-5-12(23-7-11(13)10-3-4-10)15(26)24-18(8-27-9-18)6-14(25)22-2/h5,7,10,16H,3-4,6,8-9H2,1-2H3,(H,22,25)(H,24,26)/t17-/m1/s1
InChIKeyCZMQVWFVOYYUQA-QGZVFWFLSA-N
XLogP1.92
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 90203798) is 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide is CNC(=O)CC1(NC(=O)c2cc(O[C@@](C)(F)C(F)F)c(C3CC3)cn2)COC1.
What is the InChIKey of 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is CZMQVWFVOYYUQA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22F3N3O4/c1-17(21,16(19)20)28-13-5-12(23-7-11(13)10-3-4-10)15(26)24-18(8-27-9-18)6-14(25)22-2/h5,7,10,16H,3-4,6,8-9H2,1-2H3,(H,22,25)(H,24,26)/t17-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 401.39 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-[2-(methylamino)-2-oxoethyl]oxetan-3-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 90203798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).