6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C18H27N3O — CID 4271824

IUPAC6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCN(C)c1nc(CC)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C18H27N3O/c1-6-8-9-21(5)17-14(11-19)13-10-18(3,4)22-12-15(13)16(7-2)20-17/h6-10,12H2,1-5H3
InChIKeyYHXWOYUXPPTZGJ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.60
Rot. Bonds5

About 6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 4271824) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID4271824
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCN(C)c1nc(CC)c2c(c1C#N)CC(C)(C)OC2
InChIInChI=1S/C18H27N3O/c1-6-8-9-21(5)17-14(11-19)13-10-18(3,4)22-12-15(13)16(7-2)20-17/h6-10,12H2,1-5H3
InChIKeyYHXWOYUXPPTZGJ-UHFFFAOYSA-N
XLogP3.60
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 4271824) is 6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCCCN(C)c1nc(CC)c2c(c1C#N)CC(C)(C)OC2.
What is the InChIKey of 6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is YHXWOYUXPPTZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-6-8-9-21(5)17-14(11-19)13-10-18(3,4)22-12-15(13)16(7-2)20-17/h6-10,12H2,1-5H3.
What are the key properties of 6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 301.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 4271824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).