2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane

C21H34N6O5 — CID 164908602

IUPAC2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane
SMILESCC.CC(C)OC(=O)OC(C)Oc1ccccc1N.NCC(=O)Nc1ccc(N)c(N)n1
InChIInChI=1S/C12H17NO4.C7H11N5O.C2H6/c1-8(2)15-12(14)17-9(3)16-11-7-5-4-6-10(11)13;8-3-6(13)11-5-2-1-4(9)7(10)12-5;1-2/h4-9H,13H2,1-3H3;1-2H,3,8-9H2,(H3,10,11,12,13);1-2H3
InChIKeyDDXTUPCPVDUQBC-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.72
Rot. Bonds6

About 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane

2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane (PubChem CID 164908602) has the molecular formula C21H34N6O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane.

Molecular Properties

Compound Name2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane
PubChem CID164908602
Molecular FormulaC21H34N6O5
Molecular Weight450.54 g/mol
Exact Mass450.26
IUPAC Name2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane
SMILESCC.CC(C)OC(=O)OC(C)Oc1ccccc1N.NCC(=O)Nc1ccc(N)c(N)n1
InChIInChI=1S/C12H17NO4.C7H11N5O.C2H6/c1-8(2)15-12(14)17-9(3)16-11-7-5-4-6-10(11)13;8-3-6(13)11-5-2-1-4(9)7(10)12-5;1-2/h4-9H,13H2,1-3H3;1-2H,3,8-9H2,(H3,10,11,12,13);1-2H3
InChIKeyDDXTUPCPVDUQBC-UHFFFAOYSA-N
XLogP2.72
TPSA190.83 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N'-(2-ethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205199
[2-[[2-Amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] 2,2,2-trifluoroacetate
CID 175516437
N1-(2-(4-fluorophenoxy)ethyl)-N2-(6-methylpyridin-2-yl)oxalamide
CID 45586405
3-[[N-[2-(3-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 109476049
3-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111677668
3-[[N-ethyl-N'-[2-(4-fluorophenoxy)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111677784
3-[[N-[2-(3-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111680884
3-[[N-ethyl-N'-[2-(3-fluorophenoxy)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111681004
3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111683750
3-[[N-ethyl-N'-[2-(2-fluorophenoxy)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111683894
2-[4-(6-fluoropyridin-2-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 171691037
N-(2-ethoxyphenyl)-4-(6-fluoropyridin-2-yl)-3-methylpiperazine-1-carboxamide
CID 172005190

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane?
The IUPAC name of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane (CID 164908602) is 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane.
What is the SMILES notation for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane?
The canonical SMILES for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane is CC.CC(C)OC(=O)OC(C)Oc1ccccc1N.NCC(=O)Nc1ccc(N)c(N)n1.
What is the InChIKey of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane?
The InChIKey is DDXTUPCPVDUQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4.C7H11N5O.C2H6/c1-8(2)15-12(14)17-9(3)16-11-7-5-4-6-10(11)13;8-3-6(13)11-5-2-1-4(9)7(10)12-5;1-2/h4-9H,13H2,1-3H3;1-2H,3,8-9H2,(H3,10,11,12,13);1-2H3.
What are the key properties of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane?
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane has a molecular weight of 450.54 g/mol, XLogP of 2.72, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane is sourced from PubChem (CID 164908602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).