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

C17H27N5O2 — CID 97467687

IUPACN-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide
SMILESCN(C)Cc1cc(=O)n2c(n1)CN(C(=O)NC1CCCC1)CCC2
InChIInChI=1S/C17H27N5O2/c1-20(2)11-14-10-16(23)22-9-5-8-21(12-15(22)18-14)17(24)19-13-6-3-4-7-13/h10,13H,3-9,11-12H2,1-2H3,(H,19,24)
InChIKeyXNSKBXUAIGSNBI-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.16
Rot. Bonds3

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

N-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide (PubChem CID 97467687) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide
PubChem CID97467687
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide
SMILESCN(C)Cc1cc(=O)n2c(n1)CN(C(=O)NC1CCCC1)CCC2
InChIInChI=1S/C17H27N5O2/c1-20(2)11-14-10-16(23)22-9-5-8-21(12-15(22)18-14)17(24)19-13-6-3-4-7-13/h10,13H,3-9,11-12H2,1-2H3,(H,19,24)
InChIKeyXNSKBXUAIGSNBI-UHFFFAOYSA-N
XLogP1.16
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-2-[(dimethylamino)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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
The IUPAC name of N-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide (CID 97467687) is N-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide is CN(C)Cc1cc(=O)n2c(n1)CN(C(=O)NC1CCCC1)CCC2.
What is the InChIKey of N-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
The InChIKey is XNSKBXUAIGSNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20(2)11-14-10-16(23)22-9-5-8-21(12-15(22)18-14)17(24)19-13-6-3-4-7-13/h10,13H,3-9,11-12H2,1-2H3,(H,19,24).
What are the key properties of N-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide?
N-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(dimethylamino)methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide is sourced from PubChem (CID 97467687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).