(2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide

C14H15N5O3 — CID 39377779

IUPAC(2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C14H15N5O3/c15-13(21)11-6-3-7-18(11)12(20)8-19-14(22)9-4-1-2-5-10(9)16-17-19/h1-2,4-5,11H,3,6-8H2,(H2,15,21)/t11-/m1/s1
InChIKeyZNMRXQYTOVPZBS-LLVKDONJSA-N
MW301.31 g/mol
LogP-0.73
Rot. Bonds3

About (2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide

(2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 39377779) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is (2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID39377779
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name(2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C14H15N5O3/c15-13(21)11-6-3-7-18(11)12(20)8-19-14(22)9-4-1-2-5-10(9)16-17-19/h1-2,4-5,11H,3,6-8H2,(H2,15,21)/t11-/m1/s1
InChIKeyZNMRXQYTOVPZBS-LLVKDONJSA-N
XLogP-0.73
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 9489671
3-[2-[(2R)-2-ethyl-3-oxo-1,4-diazepan-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 136586998
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 30896765
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714517
3-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 56798223
3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 7583588
3-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 8006440
3-[2-[4-(4-methylpentanoyl)piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 55921868
tert-butyl (2R)-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 124873958
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
CID 694457
N-cyclopropyl-N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 39533398

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide (CID 39377779) is (2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of (2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is ZNMRXQYTOVPZBS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N5O3/c15-13(21)11-6-3-7-18(11)12(20)8-19-14(22)9-4-1-2-5-10(9)16-17-19/h1-2,4-5,11H,3,6-8H2,(H2,15,21)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide?
(2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 301.31 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 39377779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).