N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide

C18H22N6O3 — CID 154994740

IUPACN-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide
SMILESCN(C=O)NC1C=C(N2CCOc3cc(C(=O)N4CC=CC4)[nH]c32)C=CN1
InChIInChI=1S/C18H22N6O3/c1-22(12-25)21-16-10-13(4-5-19-16)24-8-9-27-15-11-14(20-17(15)24)18(26)23-6-2-3-7-23/h2-5,10-12,16,19-21H,6-9H2,1H3
InChIKeyWDBMXXOAOWDTQC-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.15
Rot. Bonds5

About N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide

N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide (PubChem CID 154994740) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide.

Molecular Properties

Compound NameN-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide
PubChem CID154994740
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC NameN-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide
SMILESCN(C=O)NC1C=C(N2CCOc3cc(C(=O)N4CC=CC4)[nH]c32)C=CN1
InChIInChI=1S/C18H22N6O3/c1-22(12-25)21-16-10-13(4-5-19-16)24-8-9-27-15-11-14(20-17(15)24)18(26)23-6-2-3-7-23/h2-5,10-12,16,19-21H,6-9H2,1H3
InChIKeyWDBMXXOAOWDTQC-UHFFFAOYSA-N
XLogP0.15
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide 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 N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide?
The IUPAC name of N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide (CID 154994740) is N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide.
What is the SMILES notation for N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide?
The canonical SMILES for N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide is CN(C=O)NC1C=C(N2CCOc3cc(C(=O)N4CC=CC4)[nH]c32)C=CN1.
What is the InChIKey of N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide?
The InChIKey is WDBMXXOAOWDTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-22(12-25)21-16-10-13(4-5-19-16)24-8-9-27-15-11-14(20-17(15)24)18(26)23-6-2-3-7-23/h2-5,10-12,16,19-21H,6-9H2,1H3.
What are the key properties of N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide?
N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide has a molecular weight of 370.41 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[6-(2,5-dihydropyrrole-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-1,2-dihydropyridin-2-yl]amino]-N-methylformamide is sourced from PubChem (CID 154994740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).