(2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate

C19H20N6O7 — CID 167094624

IUPAC(2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate
SMILESNC(N)=NCNC(=O)Cc1cc(=O)oc2ccc(CNC(=O)ON3C(=O)CCC3=O)cc12
InChIInChI=1S/C19H20N6O7/c20-18(21)24-9-23-14(26)6-11-7-17(29)31-13-2-1-10(5-12(11)13)8-22-19(30)32-25-15(27)3-4-16(25)28/h1-2,5,7H,3-4,6,8-9H2,(H,22,30)(H,23,26)(H4,20,21,24)
InChIKeyYPMLYTDSEKAZMP-UHFFFAOYSA-N
MW444.40 g/mol
LogP-1.03
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate

(2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate (PubChem CID 167094624) has the molecular formula C19H20N6O7 and a molecular weight of 444.40 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate
PubChem CID167094624
Molecular FormulaC19H20N6O7
Molecular Weight444.40 g/mol
Exact Mass444.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate
SMILESNC(N)=NCNC(=O)Cc1cc(=O)oc2ccc(CNC(=O)ON3C(=O)CCC3=O)cc12
InChIInChI=1S/C19H20N6O7/c20-18(21)24-9-23-14(26)6-11-7-17(29)31-13-2-1-10(5-12(11)13)8-22-19(30)32-25-15(27)3-4-16(25)28/h1-2,5,7H,3-4,6,8-9H2,(H,22,30)(H,23,26)(H4,20,21,24)
InChIKeyYPMLYTDSEKAZMP-UHFFFAOYSA-N
XLogP-1.03
TPSA199.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.40
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate (CID 167094624) is (2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate is NC(N)=NCNC(=O)Cc1cc(=O)oc2ccc(CNC(=O)ON3C(=O)CCC3=O)cc12.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate?
The InChIKey is YPMLYTDSEKAZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O7/c20-18(21)24-9-23-14(26)6-11-7-17(29)31-13-2-1-10(5-12(11)13)8-22-19(30)32-25-15(27)3-4-16(25)28/h1-2,5,7H,3-4,6,8-9H2,(H,22,30)(H,23,26)(H4,20,21,24).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate?
(2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate has a molecular weight of 444.40 g/mol, XLogP of -1.03, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-[[4-[2-[(diaminomethylideneamino)methylamino]-2-oxoethyl]-2-oxochromen-6-yl]methyl]carbamate is sourced from PubChem (CID 167094624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).