2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine

C20H33N3 — CID 174267371

IUPAC2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine
SMILESCCCC1CC=CC(NC2=CC(C(C)C(C)C)=CC(CC)N2)=N1
InChIInChI=1S/C20H33N3/c1-6-9-18-10-8-11-19(22-18)23-20-13-16(15(5)14(3)4)12-17(7-2)21-20/h8,11-15,17-18,21H,6-7,9-10H2,1-5H3,(H,22,23)
InChIKeyDWZHANISASFSBP-UHFFFAOYSA-N
MW315.50 g/mol
LogP4.54
Rot. Bonds6

About 2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine

2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine (PubChem CID 174267371) has the molecular formula C20H33N3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound Name2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine
PubChem CID174267371
Molecular FormulaC20H33N3
Molecular Weight315.50 g/mol
Exact Mass315.27
IUPAC Name2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine
SMILESCCCC1CC=CC(NC2=CC(C(C)C(C)C)=CC(CC)N2)=N1
InChIInChI=1S/C20H33N3/c1-6-9-18-10-8-11-19(22-18)23-20-13-16(15(5)14(3)4)12-17(7-2)21-20/h8,11-15,17-18,21H,6-7,9-10H2,1-5H3,(H,22,23)
InChIKeyDWZHANISASFSBP-UHFFFAOYSA-N
XLogP4.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine?
The IUPAC name of 2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine (CID 174267371) is 2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine.
What is the SMILES notation for 2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine?
The canonical SMILES for 2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine is CCCC1CC=CC(NC2=CC(C(C)C(C)C)=CC(CC)N2)=N1.
What is the InChIKey of 2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine?
The InChIKey is DWZHANISASFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3/c1-6-9-18-10-8-11-19(22-18)23-20-13-16(15(5)14(3)4)12-17(7-2)21-20/h8,11-15,17-18,21H,6-7,9-10H2,1-5H3,(H,22,23).
What are the key properties of 2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine?
2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine has a molecular weight of 315.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-methylbutan-2-yl)-N-(2-propyl-2,3-dihydropyridin-6-yl)-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 174267371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).