benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate

C19H20N6O3 — CID 146295205

IUPACbenzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate
SMILESNC(=O)c1cnc2c(c1)nc(N)n2C/C=C/CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H20N6O3/c20-16(26)14-10-15-17(23-11-14)25(18(21)24-15)9-5-4-8-22-19(27)28-12-13-6-2-1-3-7-13/h1-7,10-11H,8-9,12H2,(H2,20,26)(H2,21,24)(H,22,27)/b5-4+
InChIKeyGCBGCQXDJDZRTJ-SNAWJCMRSA-N
MW380.41 g/mol
LogP1.60
Rot. Bonds7

About benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate

benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate (PubChem CID 146295205) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate
PubChem CID146295205
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Namebenzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate
SMILESNC(=O)c1cnc2c(c1)nc(N)n2C/C=C/CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H20N6O3/c20-16(26)14-10-15-17(23-11-14)25(18(21)24-15)9-5-4-8-22-19(27)28-12-13-6-2-1-3-7-13/h1-7,10-11H,8-9,12H2,(H2,20,26)(H2,21,24)(H,22,27)/b5-4+
InChIKeyGCBGCQXDJDZRTJ-SNAWJCMRSA-N
XLogP1.60
TPSA138.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-3-[4-(2-amino-7-bromo-5-carbamoylbenzimidazol-1-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175241338
2-amino-1-[(E)-4-(2-amino-5-carbamoyl-7-phenylmethoxybenzimidazol-1-yl)but-2-enyl]-7-methoxybenzimidazole-5-carboxamide;dihydrobromide
CID 140862536
benzyl N-[3-[2-amino-5-carbamoyl-7-(3-methoxypropoxy)benzimidazol-1-yl]propyl]carbamate
CID 155797704
benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169471246
benzyl N-[3-(3-chloroquinoxalin-6-yl)prop-2-enyl]carbamate
CID 169472338
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169471077
benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169472638
benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
CID 169471041
benzyl N-[3-(2,4-dichloropyrimidin-5-yl)prop-2-enyl]carbamate
CID 169471267
benzyl N-[3-(6-aminoquinoxalin-5-yl)prop-2-enyl]carbamate
CID 169472384
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate?
The IUPAC name of benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate (CID 146295205) is benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate?
The canonical SMILES for benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate is NC(=O)c1cnc2c(c1)nc(N)n2C/C=C/CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate?
The InChIKey is GCBGCQXDJDZRTJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H20N6O3/c20-16(26)14-10-15-17(23-11-14)25(18(21)24-15)9-5-4-8-22-19(27)28-12-13-6-2-1-3-7-13/h1-7,10-11H,8-9,12H2,(H2,20,26)(H2,21,24)(H,22,27)/b5-4+.
What are the key properties of benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate?
benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate has a molecular weight of 380.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]carbamate is sourced from PubChem (CID 146295205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).