ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane

C18H28N4O3 — CID 143215967

IUPACethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane
SMILESC.CC.CCOC(=O)N(C)c1c(Oc2ccc(N)cc2)ccnc1N
InChIInChI=1S/C15H18N4O3.C2H6.CH4/c1-3-21-15(20)19(2)13-12(8-9-18-14(13)17)22-11-6-4-10(16)5-7-11;1-2;/h4-9H,3,16H2,1-2H3,(H2,17,18);1-2H3;1H4
InChIKeyFYLVNFRBKHDUIL-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.29
Rot. Bonds4

About ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane

ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane (PubChem CID 143215967) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane.

Molecular Properties

Compound Nameethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane
PubChem CID143215967
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nameethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane
SMILESC.CC.CCOC(=O)N(C)c1c(Oc2ccc(N)cc2)ccnc1N
InChIInChI=1S/C15H18N4O3.C2H6.CH4/c1-3-21-15(20)19(2)13-12(8-9-18-14(13)17)22-11-6-4-10(16)5-7-11;1-2;/h4-9H,3,16H2,1-2H3,(H2,17,18);1-2H3;1H4
InChIKeyFYLVNFRBKHDUIL-UHFFFAOYSA-N
XLogP4.29
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-3-nitropyridin-2-amine;ethane
CID 91101107
N-[4-(4-aminophenoxy)-3-(dimethylamino)-2-pyridinyl]formamide
CID 143215939
4-(4-aminophenoxy)-3-chloropyridin-2-amine
CID 89410344
4-(4-aminophenoxy)-3-[(E)-3-ethylperoxyprop-1-enyl]pyridin-2-amine
CID 88946517
5-amino-2-(4-aminophenoxy)benzenesulfonic acid;N,N-diethylethanamine
CID 173258334
9H-fluoren-9-yl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-N-methylcarbamate
CID 141307800
4-[(2-amino-3-butanimidoyl-4-pyridinyl)oxy]-N-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 144991996
ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate
CID 89159446
4-(6,8-dimethylquinolin-4-yl)oxyaniline
CID 54773300
ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
CID 121281075
(4-aminophenyl) N,N-dimethylcarbamate
CID 21427559
4-(4-aminophenoxy)-3-(1,3-diazinan-2-yl)pyridin-2-amine
CID 88973251

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane?
The IUPAC name of ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane (CID 143215967) is ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane.
What is the SMILES notation for ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane?
The canonical SMILES for ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane is C.CC.CCOC(=O)N(C)c1c(Oc2ccc(N)cc2)ccnc1N.
What is the InChIKey of ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane?
The InChIKey is FYLVNFRBKHDUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3.C2H6.CH4/c1-3-21-15(20)19(2)13-12(8-9-18-14(13)17)22-11-6-4-10(16)5-7-11;1-2;/h4-9H,3,16H2,1-2H3,(H2,17,18);1-2H3;1H4.
What are the key properties of ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane?
ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane has a molecular weight of 348.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-[2-amino-4-(4-aminophenoxy)-3-pyridinyl]-N-methylcarbamate;methane is sourced from PubChem (CID 143215967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).