N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine

C19H27N5O4 — CID 142140164

IUPACN-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine
SMILESCCN(CCc1c(C)ncn1C)C(=O)CN(C)C=O.c1cc2c(cn1)OCO2
InChIInChI=1S/C13H22N4O2.C6H5NO2/c1-5-17(13(19)8-15(3)10-18)7-6-12-11(2)14-9-16(12)4;1-2-7-3-6-5(1)8-4-9-6/h9-10H,5-8H2,1-4H3;1-3H,4H2
InChIKeyLPPNKEIOVSDKKD-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.02
Rot. Bonds7

About N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine

N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine (PubChem CID 142140164) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine
PubChem CID142140164
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC NameN-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine
SMILESCCN(CCc1c(C)ncn1C)C(=O)CN(C)C=O.c1cc2c(cn1)OCO2
InChIInChI=1S/C13H22N4O2.C6H5NO2/c1-5-17(13(19)8-15(3)10-18)7-6-12-11(2)14-9-16(12)4;1-2-7-3-6-5(1)8-4-9-6/h9-10H,5-8H2,1-4H3;1-3H,4H2
InChIKeyLPPNKEIOVSDKKD-UHFFFAOYSA-N
XLogP1.02
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine 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-[2-ethyl-8-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-N-(2-methoxyethyl)acetamide
CID 132453679
2-[acetyl-(2-ethyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)amino]-N,N-dimethylacetamide
CID 172437227
N-(1,3-dioxolan-2-ylmethyl)-8-methoxy-N-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126474606
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 126475059
(2R,4S)-N-(2-chloropyrimidin-5-yl)-1-([1,3]dioxolo[4,5-c]pyridin-4-ylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 172371452
(2R,4S)-N-(2-cyclopropylpyrimidin-5-yl)-1-([1,3]dioxolo[4,5-c]pyridin-4-ylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 172371464
(2R,4S)-N-[2-(dimethylamino)pyrimidin-5-yl]-1-([1,3]dioxolo[4,5-c]pyridin-4-ylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 172371690
1-[(3,4-Dimethoxy-2-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
CID 95807348
N-butyl-N-[2-ethyl-8-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]formamide
CID 132455204
2-[[2-ethyl-8-(2-phenoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-formylamino]-N,N-dimethylacetamide
CID 132455409
2-[[2-ethyl-8-(2-pyrrol-1-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-formylamino]-N,N-dimethylacetamide
CID 132455894
2-[(2-ethyl-8-methoxyimidazo[1,2-a]pyridin-3-yl)-formylamino]-N,N-dimethylacetamide
CID 132455986

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine?
The IUPAC name of N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine (CID 142140164) is N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine.
What is the SMILES notation for N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine?
The canonical SMILES for N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine is CCN(CCc1c(C)ncn1C)C(=O)CN(C)C=O.c1cc2c(cn1)OCO2.
What is the InChIKey of N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine?
The InChIKey is LPPNKEIOVSDKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.C6H5NO2/c1-5-17(13(19)8-15(3)10-18)7-6-12-11(2)14-9-16(12)4;1-2-7-3-6-5(1)8-4-9-6/h9-10H,5-8H2,1-4H3;1-3H,4H2.
What are the key properties of N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine?
N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine has a molecular weight of 389.46 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylimidazol-4-yl)ethyl]-N-ethyl-2-[formyl(methyl)amino]acetamide;[1,3]dioxolo[4,5-c]pyridine is sourced from PubChem (CID 142140164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).