4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one

C14H22N4O — CID 102892610

IUPAC4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one
SMILESCCNc1ncccc1CN1CCCN(C)C(=O)C1
InChIInChI=1S/C14H22N4O/c1-3-15-14-12(6-4-7-16-14)10-18-9-5-8-17(2)13(19)11-18/h4,6-7H,3,5,8-11H2,1-2H3,(H,15,16)
InChIKeyMNYGTXKTHSEZNR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.18
Rot. Bonds4

About 4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one

4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102892610) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one
PubChem CID102892610
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one
SMILESCCNc1ncccc1CN1CCCN(C)C(=O)C1
InChIInChI=1S/C14H22N4O/c1-3-15-14-12(6-4-7-16-14)10-18-9-5-8-17(2)13(19)11-18/h4,6-7H,3,5,8-11H2,1-2H3,(H,15,16)
InChIKeyMNYGTXKTHSEZNR-UHFFFAOYSA-N
XLogP1.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one 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-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine
CID 63152815
1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol
CID 107408556
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione
CID 62464538
3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
CID 62465248
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylpyridin-2-amine
CID 62471001
1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55075402
1-methyl-4-(pyridin-4-ylmethyl)-1,4-diazepan-2-one
CID 117005343
2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one
CID 55126780
4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one
CID 102892626
2-[(4-methyl-3-oxo-1,4-diazepan-1-yl)methyl]benzenecarbothioamide
CID 102889120

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one (CID 102892610) is 4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one is CCNc1ncccc1CN1CCCN(C)C(=O)C1.
What is the InChIKey of 4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is MNYGTXKTHSEZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-15-14-12(6-4-7-16-14)10-18-9-5-8-17(2)13(19)11-18/h4,6-7H,3,5,8-11H2,1-2H3,(H,15,16).
What are the key properties of 4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one?
4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102892610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).