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

C14H22N4O — CID 62187064

IUPAC[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCCNc1ncccc1C(=O)N1CCCN(C)CC1
InChIInChI=1S/C14H22N4O/c1-3-15-13-12(6-4-7-16-13)14(19)18-9-5-8-17(2)10-11-18/h4,6-7H,3,5,8-11H2,1-2H3,(H,15,16)
InChIKeyWIBCDPXFWHJDOA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.29
Rot. Bonds3

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

[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 62187064) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID62187064
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCCNc1ncccc1C(=O)N1CCCN(C)CC1
InChIInChI=1S/C14H22N4O/c1-3-15-13-12(6-4-7-16-13)14(19)18-9-5-8-17(2)10-11-18/h4,6-7H,3,5,8-11H2,1-2H3,(H,15,16)
InChIKeyWIBCDPXFWHJDOA-UHFFFAOYSA-N
XLogP1.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone 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

(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62234639
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 105383957
(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181639
[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162177
[2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605493
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-pyridinyl]methanone
CID 62171688
[2-(ethylamino)-3-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370320
[2-(ethylamino)-3-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628604
[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496686
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 62156557
(2-cyclopentylpyrrolidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181418

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 62187064) is [2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone is CCNc1ncccc1C(=O)N1CCCN(C)CC1.
What is the InChIKey of [2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is WIBCDPXFWHJDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-15-13-12(6-4-7-16-13)14(19)18-9-5-8-17(2)10-11-18/h4,6-7H,3,5,8-11H2,1-2H3,(H,15,16).
What are the key properties of [2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 62187064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).