6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile

C26H29N5 — CID 135292191

IUPAC6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile
SMILESC=Cc1cc(-c2cc(C#N)c(N3CCN(C(=C)C4CC4)C(C)C3)nc2C2CC2)ccn1
InChIInChI=1S/C26H29N5/c1-4-23-13-21(9-10-28-23)24-14-22(15-27)26(29-25(24)20-7-8-20)30-11-12-31(17(2)16-30)18(3)19-5-6-19/h4,9-10,13-14,17,19-20H,1,3,5-8,11-12,16H2,2H3
InChIKeyLAOZNZIQAFCJJE-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.97
Rot. Bonds6

About 6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile

6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile (PubChem CID 135292191) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile
PubChem CID135292191
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Name6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile
SMILESC=Cc1cc(-c2cc(C#N)c(N3CCN(C(=C)C4CC4)C(C)C3)nc2C2CC2)ccn1
InChIInChI=1S/C26H29N5/c1-4-23-13-21(9-10-28-23)24-14-22(15-27)26(29-25(24)20-7-8-20)30-11-12-31(17(2)16-30)18(3)19-5-6-19/h4,9-10,13-14,17,19-20H,1,3,5-8,11-12,16H2,2H3
InChIKeyLAOZNZIQAFCJJE-UHFFFAOYSA-N
XLogP4.97
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-5-(2-ethenyl-4-pyridinyl)-2-[4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 123895852
6-cyclopropyl-5-(2-ethenyl-4-pyridinyl)-2-[(3R)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89288418
6-cyclopropyl-5-(2-ethenyl-4-pyridinyl)-2-[(3R)-4-(2-ethoxyacetyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89300113
6-cyclopropyl-5-(2-ethenyl-4-pyridinyl)-2-[4-(2-methoxyacetyl)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carbonitrile
CID 123446459
6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile
CID 90305585
6-cyclopropyl-2-[3-cyclopropyl-4-(4-methoxybutanoyl)piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile
CID 123663473
disodium;[3-[(2R)-4-[3-cyano-6-cyclopropyl-5-(2-ethenyl-4-pyridinyl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-oxopropyl] phosphate
CID 140648306
5-[2,6-bis(ethenyl)-4-pyridinyl]-6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 90301745
5-(2-cyano-6-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[4-(4-methoxybut-1-en-2-yl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 123761611
2-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-6-cyclopropyl-5-(4-fluorophenyl)pyridine-3-carbonitrile
CID 71119076
6-cyclopropyl-5-(4-ethenyl-2-pyridinyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 123352521
6-cyclopropyl-5-[(2-ethenyl-4-pyridinyl)-methylamino]-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 86728570

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile (CID 135292191) is 6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile is C=Cc1cc(-c2cc(C#N)c(N3CCN(C(=C)C4CC4)C(C)C3)nc2C2CC2)ccn1.
What is the InChIKey of 6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile?
The InChIKey is LAOZNZIQAFCJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-4-23-13-21(9-10-28-23)24-14-22(15-27)26(29-25(24)20-7-8-20)30-11-12-31(17(2)16-30)18(3)19-5-6-19/h4,9-10,13-14,17,19-20H,1,3,5-8,11-12,16H2,2H3.
What are the key properties of 6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile?
6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile has a molecular weight of 411.55 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-(1-cyclopropylethenyl)-3-methylpiperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 135292191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).