3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane

C20H30N6O3 — CID 164908912

IUPAC3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane
SMILESCC.NCCC(=O)Nc1ccc(N)c(N)n1.Nc1ccccc1OC(=O)C1CC1
InChIInChI=1S/C10H11NO2.C8H13N5O.C2H6/c11-8-3-1-2-4-9(8)13-10(12)7-5-6-7;9-4-3-7(14)12-6-2-1-5(10)8(11)13-6;1-2/h1-4,7H,5-6,11H2;1-2H,3-4,9-10H2,(H3,11,12,13,14);1-2H3
InChIKeyWLOWFIKDVRSEAU-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.14
Rot. Bonds5

About 3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane

3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane (PubChem CID 164908912) has the molecular formula C20H30N6O3 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane.

Molecular Properties

Compound Name3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane
PubChem CID164908912
Molecular FormulaC20H30N6O3
Molecular Weight402.50 g/mol
Exact Mass402.24
IUPAC Name3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane
SMILESCC.NCCC(=O)Nc1ccc(N)c(N)n1.Nc1ccccc1OC(=O)C1CC1
InChIInChI=1S/C10H11NO2.C8H13N5O.C2H6/c11-8-3-1-2-4-9(8)13-10(12)7-5-6-7;9-4-3-7(14)12-6-2-1-5(10)8(11)13-6;1-2/h1-4,7H,5-6,11H2;1-2H,3-4,9-10H2,(H3,11,12,13,14);1-2H3
InChIKeyWLOWFIKDVRSEAU-UHFFFAOYSA-N
XLogP2.14
TPSA172.37 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.14
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

CID 164909055
CID 164909055
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) 2-amino-3-methylbutanoate
CID 164909199
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane
CID 164909252
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate
CID 164909099
2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate
CID 164909161
(2-aminophenyl) 2,3-dihydroxypropanoate;N-(5,6-diamino-2-pyridinyl)-2-(methylamino)acetamide
CID 164908700
N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 119879406
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one
CID 164908857
(2-aminophenyl) 4-(azepan-1-yl)piperidine-1-carboxylate;ethane;pyridine-2,3,6-triamine
CID 164909291
4-(2-aminophenoxy)-N-(5-chloro-2-pyridinyl)butanamide
CID 84551760
1-(2-aminophenoxy)ethyl propan-2-yl carbonate;2,6-diamino-N-(5,6-diamino-2-pyridinyl)hexanamide
CID 164909178
(2-hydroxyphenyl) cyclopropanecarboxylate
CID 91694694

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane?
The IUPAC name of 3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane (CID 164908912) is 3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane.
What is the SMILES notation for 3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane?
The canonical SMILES for 3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane is CC.NCCC(=O)Nc1ccc(N)c(N)n1.Nc1ccccc1OC(=O)C1CC1.
What is the InChIKey of 3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane?
The InChIKey is WLOWFIKDVRSEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C8H13N5O.C2H6/c11-8-3-1-2-4-9(8)13-10(12)7-5-6-7;9-4-3-7(14)12-6-2-1-5(10)8(11)13-6;1-2/h1-4,7H,5-6,11H2;1-2H,3-4,9-10H2,(H3,11,12,13,14);1-2H3.
What are the key properties of 3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane?
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane has a molecular weight of 402.50 g/mol, XLogP of 2.14, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane is sourced from PubChem (CID 164908912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).