N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide

C16H22N4O2 — CID 131907551

IUPACN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
SMILESCc1cccc(C(NC(=O)N2CCNC(=O)CC2)C2CC2)n1
InChIInChI=1S/C16H22N4O2/c1-11-3-2-4-13(18-11)15(12-5-6-12)19-16(22)20-9-7-14(21)17-8-10-20/h2-4,12,15H,5-10H2,1H3,(H,17,21)(H,19,22)
InChIKeyCVDKUYRRMKOHNO-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.37
Rot. Bonds3

About N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide

N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide (PubChem CID 131907551) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
PubChem CID131907551
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
SMILESCc1cccc(C(NC(=O)N2CCNC(=O)CC2)C2CC2)n1
InChIInChI=1S/C16H22N4O2/c1-11-3-2-4-13(18-11)15(12-5-6-12)19-16(22)20-9-7-14(21)17-8-10-20/h2-4,12,15H,5-10H2,1H3,(H,17,21)(H,19,22)
InChIKeyCVDKUYRRMKOHNO-UHFFFAOYSA-N
XLogP1.37
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-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-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide (CID 131907551) is N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide is Cc1cccc(C(NC(=O)N2CCNC(=O)CC2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is CVDKUYRRMKOHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-3-2-4-13(18-11)15(12-5-6-12)19-16(22)20-9-7-14(21)17-8-10-20/h2-4,12,15H,5-10H2,1H3,(H,17,21)(H,19,22).
What are the key properties of N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide?
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 131907551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).