[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone

C14H22N4O2 — CID 107226312

IUPAC[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2CCCN(CCO)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-15-13-5-2-4-12(16-13)14(20)18-7-3-6-17(8-9-18)10-11-19/h2,4-5,19H,3,6-11H2,1H3,(H,15,16)
InChIKeyGMWFTMCUYRYJMG-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.26
Rot. Bonds4

About [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone

[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone (PubChem CID 107226312) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
PubChem CID107226312
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2CCCN(CCO)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-15-13-5-2-4-12(16-13)14(20)18-7-3-6-17(8-9-18)10-11-19/h2,4-5,19H,3,6-11H2,1H3,(H,15,16)
InChIKeyGMWFTMCUYRYJMG-UHFFFAOYSA-N
XLogP0.26
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

(6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 62239740
[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
CID 84581420
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80665013
(2,6-dihydroxyphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107689707
(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240932
[5-chloro-2-(methylamino)-4-pyridinyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226292
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 84573425
(6-bromo-2-pyridinyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 103916899
1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone
CID 62232700
(3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 79181819
(3-ethoxypiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 62233605

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone (CID 107226312) is [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone is CNc1cccc(C(=O)N2CCCN(CCO)CC2)n1.
What is the InChIKey of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone?
The InChIKey is GMWFTMCUYRYJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-15-13-5-2-4-12(16-13)14(20)18-7-3-6-17(8-9-18)10-11-19/h2,4-5,19H,3,6-11H2,1H3,(H,15,16).
What are the key properties of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone?
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone has a molecular weight of 278.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 107226312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).