(2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide

C19H26N6O3 — CID 56740743

IUPAC(2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)c3ccccc3OC)nn2)CN1
InChIInChI=1S/C19H26N6O3/c1-19(2,22-17(26)13-7-5-6-8-15(13)28-4)16-11-25(24-23-16)12-9-14(21-10-12)18(27)20-3/h5-8,11-12,14,21H,9-10H2,1-4H3,(H,20,27)(H,22,26)/t12-,14-/m0/s1
InChIKeyLTVAAVXWLCADRW-JSGCOSHPSA-N
MW386.46 g/mol
LogP0.60
Rot. Bonds6

About (2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide

(2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56740743) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is (2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56740743
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name(2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)c3ccccc3OC)nn2)CN1
InChIInChI=1S/C19H26N6O3/c1-19(2,22-17(26)13-7-5-6-8-15(13)28-4)16-11-25(24-23-16)12-9-14(21-10-12)18(27)20-3/h5-8,11-12,14,21H,9-10H2,1-4H3,(H,20,27)(H,22,26)/t12-,14-/m0/s1
InChIKeyLTVAAVXWLCADRW-JSGCOSHPSA-N
XLogP0.60
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide (CID 56740743) is (2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](n2cc(C(C)(C)NC(=O)c3ccccc3OC)nn2)CN1.
What is the InChIKey of (2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is LTVAAVXWLCADRW-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-19(2,22-17(26)13-7-5-6-8-15(13)28-4)16-11-25(24-23-16)12-9-14(21-10-12)18(27)20-3/h5-8,11-12,14,21H,9-10H2,1-4H3,(H,20,27)(H,22,26)/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide?
(2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[4-[2-[(2-methoxybenzoyl)amino]propan-2-yl]triazol-1-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56740743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).