2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate

C16H22N6O3 — CID 164908608

IUPAC2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate
SMILESCCC(=O)Oc1ccccc1N.NCC(=O)Nc1ccc(N)c(N)n1
InChIInChI=1S/C9H11NO2.C7H11N5O/c1-2-9(11)12-8-6-4-3-5-7(8)10;8-3-6(13)11-5-2-1-4(9)7(10)12-5/h3-6H,2,10H2,1H3;1-2H,3,8-9H2,(H3,10,11,12,13)
InChIKeyRKDHOFNDNJMLPK-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.73
Rot. Bonds4

About 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate

2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate (PubChem CID 164908608) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate.

Molecular Properties

Compound Name2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate
PubChem CID164908608
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate
SMILESCCC(=O)Oc1ccccc1N.NCC(=O)Nc1ccc(N)c(N)n1
InChIInChI=1S/C9H11NO2.C7H11N5O/c1-2-9(11)12-8-6-4-3-5-7(8)10;8-3-6(13)11-5-2-1-4(9)7(10)12-5/h3-6H,2,10H2,1H3;1-2H,3,8-9H2,(H3,10,11,12,13)
InChIKeyRKDHOFNDNJMLPK-UHFFFAOYSA-N
XLogP0.73
TPSA172.37 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-N'-pyridin-2-yloxamide
CID 2907831
N-(2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5055611
N-(2-Ethoxy-phenyl)-N'-pyridin-2-yl-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 655529
ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 15105325
1-(2-Methoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 781181
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 3224966
N-(6-methyl-2-pyridinyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4580576
N'-(2-ethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205199
Pentanedioic acid cyclohexylcarbamoylmethyl-(2-ethoxy-phenyl)-amide pyridin-2-ylamide
CID 647847
Pentanedioic acid cyclopentylcarbamoylmethyl-(2-ethoxy-phenyl)-amide pyridin-2-ylamide
CID 648704
N-[(2-Methoxy-ethylcarbamoyl)-methyl]-N-(2-methoxy-phenyl)-N'-pyridin-2-yl-succinamide
CID 3205196
1-[4-(2-Methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one
CID 2729091

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate?
The IUPAC name of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate (CID 164908608) is 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate.
What is the SMILES notation for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate?
The canonical SMILES for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate is CCC(=O)Oc1ccccc1N.NCC(=O)Nc1ccc(N)c(N)n1.
What is the InChIKey of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate?
The InChIKey is RKDHOFNDNJMLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C7H11N5O/c1-2-9(11)12-8-6-4-3-5-7(8)10;8-3-6(13)11-5-2-1-4(9)7(10)12-5/h3-6H,2,10H2,1H3;1-2H,3,8-9H2,(H3,10,11,12,13).
What are the key properties of 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate?
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate has a molecular weight of 346.39 g/mol, XLogP of 0.73, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) propanoate is sourced from PubChem (CID 164908608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).