4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C20H26N4O — CID 142489735

IUPAC4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILES[H]/N=C(\C(C)CC)n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H]
InChIInChI=1S/C20H26N4O/c1-3-13(2)20(23)24-12-14(8-11-19(24)22)25-18-10-9-17(21)15-6-4-5-7-16(15)18/h4-8,11-13,17-18,22-23H,3,9-10,21H2,1-2H3/b22-19+,23-20+
InChIKeySRKMUKLTAOZXOJ-WDAKLKSISA-N
MW338.46 g/mol
LogP3.75
Rot. Bonds4

About 4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine

4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 142489735) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID142489735
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILES[H]/N=C(\C(C)CC)n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H]
InChIInChI=1S/C20H26N4O/c1-3-13(2)20(23)24-12-14(8-11-19(24)22)25-18-10-9-17(21)15-6-4-5-7-16(15)18/h4-8,11-13,17-18,22-23H,3,9-10,21H2,1-2H3/b22-19+,23-20+
InChIKeySRKMUKLTAOZXOJ-WDAKLKSISA-N
XLogP3.75
TPSA87.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 142489735) is 4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine is [H]/N=C(\C(C)CC)n1cc(OC2CCC(N)c3ccccc32)cc/c1=N\[H].
What is the InChIKey of 4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SRKMUKLTAOZXOJ-WDAKLKSISA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-13(2)20(23)24-12-14(8-11-19(24)22)25-18-10-9-17(21)15-6-4-5-7-16(15)18/h4-8,11-13,17-18,22-23H,3,9-10,21H2,1-2H3/b22-19+,23-20+.
What are the key properties of 4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 338.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-imino-1-(2-methylbutanimidoyl)-3-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 142489735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).