(2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide

C12H13F3N4O2 — CID 163783010

IUPAC(2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide
SMILESNC(=O)CNC(=O)[C@@H]1CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N4O2/c13-12(14,15)7-1-2-10(17-5-7)19-4-3-8(19)11(21)18-6-9(16)20/h1-2,5,8H,3-4,6H2,(H2,16,20)(H,18,21)/t8-/m0/s1
InChIKeyMQEYLEDBNJZKDA-QMMMGPOBSA-N
MW302.26 g/mol
LogP0.28
Rot. Bonds4

About (2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide

(2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide (PubChem CID 163783010) has the molecular formula C12H13F3N4O2 and a molecular weight of 302.26 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide
PubChem CID163783010
Molecular FormulaC12H13F3N4O2
Molecular Weight302.26 g/mol
Exact Mass302.10
IUPAC Name(2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide
SMILESNC(=O)CNC(=O)[C@@H]1CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N4O2/c13-12(14,15)7-1-2-10(17-5-7)19-4-3-8(19)11(21)18-6-9(16)20/h1-2,5,8H,3-4,6H2,(H2,16,20)(H,18,21)/t8-/m0/s1
InChIKeyMQEYLEDBNJZKDA-QMMMGPOBSA-N
XLogP0.28
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide with MolForge

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Related Compounds

[3-methyl-1-[[2-[[1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carbonyl]amino]acetyl]amino]butyl]boronic acid
CID 149078609
N-(furan-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 86930900
2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide
CID 100689790
(2S)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide
CID 147774261
(2-amino-2-oxoethyl) N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 68573795
[1-[[3-cyclopropyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutyl]boronic acid
CID 146770304
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
(3S)-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 133270447
[(2R,3S)-2-(hydroxymethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 164642673
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 24596265
(2S)-N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 136641161
N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26287807

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide (CID 163783010) is (2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide is NC(=O)CNC(=O)[C@@H]1CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide?
The InChIKey is MQEYLEDBNJZKDA-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13F3N4O2/c13-12(14,15)7-1-2-10(17-5-7)19-4-3-8(19)11(21)18-6-9(16)20/h1-2,5,8H,3-4,6H2,(H2,16,20)(H,18,21)/t8-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide?
(2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide has a molecular weight of 302.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-oxoethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-2-carboxamide is sourced from PubChem (CID 163783010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).