4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine

C18H20N2 — CID 177077445

IUPAC4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine
SMILESC=C(CC)c1ccnc(-c2cc(C(=C)CC)ccn2)c1
InChIInChI=1S/C18H20N2/c1-5-13(3)15-7-9-19-17(11-15)18-12-16(8-10-20-18)14(4)6-2/h7-12H,3-6H2,1-2H3
InChIKeyBVDBCGWRKQISDX-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.99
Rot. Bonds5

About 4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine

4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine (PubChem CID 177077445) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine
PubChem CID177077445
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine
SMILESC=C(CC)c1ccnc(-c2cc(C(=C)CC)ccn2)c1
InChIInChI=1S/C18H20N2/c1-5-13(3)15-7-9-19-17(11-15)18-12-16(8-10-20-18)14(4)6-2/h7-12H,3-6H2,1-2H3
InChIKeyBVDBCGWRKQISDX-UHFFFAOYSA-N
XLogP4.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(but-1-en-2-yl)benzene
CID 19692093
ethane;4-pent-1-en-2-ylpyridin-2-amine
CID 142560511
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
4-(1-ethoxyethenyl)-2-phenylpyridine
CID 141200949
magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate
CID 174186060
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine
CID 160626677
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
2-(furan-3-yl)-4-prop-1-en-2-ylpyridine
CID 175703563
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
CID 122378001

Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine?
The IUPAC name of 4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine (CID 177077445) is 4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine?
The canonical SMILES for 4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine is C=C(CC)c1ccnc(-c2cc(C(=C)CC)ccn2)c1.
What is the InChIKey of 4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine?
The InChIKey is BVDBCGWRKQISDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-5-13(3)15-7-9-19-17(11-15)18-12-16(8-10-20-18)14(4)6-2/h7-12H,3-6H2,1-2H3.
What are the key properties of 4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine?
4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine has a molecular weight of 264.37 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-2-(4-but-1-en-2-yl-2-pyridinyl)pyridine is sourced from PubChem (CID 177077445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).