2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide

C15H17N5O4 — CID 97467794

IUPAC2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide
SMILESNC(=O)N1CCCn2c(nc(CNC(=O)c3ccco3)cc2=O)C1
InChIInChI=1S/C15H17N5O4/c16-15(23)19-4-2-5-20-12(9-19)18-10(7-13(20)21)8-17-14(22)11-3-1-6-24-11/h1,3,6-7H,2,4-5,8-9H2,(H2,16,23)(H,17,22)
InChIKeyWZRXWHZVUZQXKS-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.05
Rot. Bonds3

About 2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide

2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide (PubChem CID 97467794) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide.

Molecular Properties

Compound Name2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide
PubChem CID97467794
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC Name2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide
SMILESNC(=O)N1CCCn2c(nc(CNC(=O)c3ccco3)cc2=O)C1
InChIInChI=1S/C15H17N5O4/c16-15(23)19-4-2-5-20-12(9-19)18-10(7-13(20)21)8-17-14(22)11-3-1-6-24-11/h1,3,6-7H,2,4-5,8-9H2,(H2,16,23)(H,17,22)
InChIKeyWZRXWHZVUZQXKS-UHFFFAOYSA-N
XLogP0.05
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide 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

N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]furan-2-carboxamide
CID 22517208
1-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]imidazole-2-carboxamide
CID 97467807
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973964
9-(1-methylpyrrole-2-carbonyl)-2-(pyrrolidin-1-ylmethyl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
CID 97382237
N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide
CID 102109798
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
2-(imidazol-1-ylmethyl)-9-(5-methylfuran-2-carbonyl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
CID 97467721
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
N-(furan-2-carbonyl)pyrrolidine-1-carboxamide
CID 110865962
methyl 3-[(furan-2-carbonylamino)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylate
CID 136557143

Frequently Asked Questions

What is the IUPAC name of 2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
The IUPAC name of 2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide (CID 97467794) is 2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide.
What is the SMILES notation for 2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
The canonical SMILES for 2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide is NC(=O)N1CCCn2c(nc(CNC(=O)c3ccco3)cc2=O)C1.
What is the InChIKey of 2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
The InChIKey is WZRXWHZVUZQXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c16-15(23)19-4-2-5-20-12(9-19)18-10(7-13(20)21)8-17-14(22)11-3-1-6-24-11/h1,3,6-7H,2,4-5,8-9H2,(H2,16,23)(H,17,22).
What are the key properties of 2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(furan-2-carbonylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide is sourced from PubChem (CID 97467794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).