(2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide

C19H27N5O4 — CID 146287451

IUPAC(2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide
SMILESCC(c1ccc2c(n1)OCCO2)N1CCC(O/C(N)=C/C=C(\N)C(N)=O)CC1
InChIInChI=1S/C19H27N5O4/c1-12(15-3-4-16-19(23-15)27-11-10-26-16)24-8-6-13(7-9-24)28-17(21)5-2-14(20)18(22)25/h2-5,12-13H,6-11,20-21H2,1H3,(H2,22,25)/b14-2-,17-5+
InChIKeyAIVWREKCWNPBFR-ADJZJGGGSA-N
MW389.46 g/mol
LogP0.52
Rot. Bonds6

About (2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide

(2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide (PubChem CID 146287451) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is (2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide
PubChem CID146287451
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name(2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide
SMILESCC(c1ccc2c(n1)OCCO2)N1CCC(O/C(N)=C/C=C(\N)C(N)=O)CC1
InChIInChI=1S/C19H27N5O4/c1-12(15-3-4-16-19(23-15)27-11-10-26-16)24-8-6-13(7-9-24)28-17(21)5-2-14(20)18(22)25/h2-5,12-13H,6-11,20-21H2,1H3,(H2,22,25)/b14-2-,17-5+
InChIKeyAIVWREKCWNPBFR-ADJZJGGGSA-N
XLogP0.52
TPSA138.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide 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

6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287149
6-[1-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287056
6-[1-[4-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287165
[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane
CID 162070897
6-[1-(1,3-thiazolidin-3-yl)ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146283763
6-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287042
6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166727421
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146283730
6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286208
N-[[(3S)-1-[(1R)-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;N-[[(3S)-1-[(1S)-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;N-[[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;sulfane
CID 160878735
6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166727424
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-3-fluoropiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286002

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide?
The IUPAC name of (2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide (CID 146287451) is (2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide is CC(c1ccc2c(n1)OCCO2)N1CCC(O/C(N)=C/C=C(\N)C(N)=O)CC1.
What is the InChIKey of (2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide?
The InChIKey is AIVWREKCWNPBFR-ADJZJGGGSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-12(15-3-4-16-19(23-15)27-11-10-26-16)24-8-6-13(7-9-24)28-17(21)5-2-14(20)18(22)25/h2-5,12-13H,6-11,20-21H2,1H3,(H2,22,25)/b14-2-,17-5+.
What are the key properties of (2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide?
(2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide has a molecular weight of 389.46 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide is sourced from PubChem (CID 146287451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).