2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile

C20H29N3O2 — CID 4888934

IUPAC2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCCCCCCC(C)C1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21
InChIInChI=1S/C20H29N3O2/c1-4-5-6-7-8-9-10-13(2)17-15(12-21)19(22)25-16-11-14(3)23-20(24)18(16)17/h11,13,17H,4-10,22H2,1-3H3,(H,23,24)
InChIKeyNLQDWUFFAQUSBW-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.24
Rot. Bonds8

About 2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile

2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 4888934) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID4888934
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCCCCCCCC(C)C1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21
InChIInChI=1S/C20H29N3O2/c1-4-5-6-7-8-9-10-13(2)17-15(12-21)19(22)25-16-11-14(3)23-20(24)18(16)17/h11,13,17H,4-10,22H2,1-3H3,(H,23,24)
InChIKeyNLQDWUFFAQUSBW-UHFFFAOYSA-N
XLogP4.24
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 4888934) is 2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is CCCCCCCCC(C)C1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21.
What is the InChIKey of 2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is NLQDWUFFAQUSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-5-6-7-8-9-10-13(2)17-15(12-21)19(22)25-16-11-14(3)23-20(24)18(16)17/h11,13,17H,4-10,22H2,1-3H3,(H,23,24).
What are the key properties of 2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 343.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-decan-2-yl-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 4888934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).