3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C18H20N4 — CID 10017220

IUPAC3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1ccn(CC2CC2)n1
InChIInChI=1S/C18H20N4/c1-4-16(12-19-8-1)18-15(3-2-9-20-18)11-17-7-10-22(21-17)13-14-5-6-14/h1,4,7-8,10-12,14H,2-3,5-6,9,13H2/b15-11+
InChIKeyGMONKGQJSRFNGK-RVDMUPIBSA-N
MW292.39 g/mol
LogP3.35
Rot. Bonds4

About 3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 10017220) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID10017220
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1ccn(CC2CC2)n1
InChIInChI=1S/C18H20N4/c1-4-16(12-19-8-1)18-15(3-2-9-20-18)11-17-7-10-22(21-17)13-14-5-6-14/h1,4,7-8,10-12,14H,2-3,5-6,9,13H2/b15-11+
InChIKeyGMONKGQJSRFNGK-RVDMUPIBSA-N
XLogP3.35
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 10017220) is 3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is C(=C1\CCCN=C1c1cccnc1)\c1ccn(CC2CC2)n1.
What is the InChIKey of 3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is GMONKGQJSRFNGK-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H20N4/c1-4-16(12-19-8-1)18-15(3-2-9-20-18)11-17-7-10-22(21-17)13-14-5-6-14/h1,4,7-8,10-12,14H,2-3,5-6,9,13H2/b15-11+.
What are the key properties of 3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 292.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[[1-(cyclopropylmethyl)pyrazol-3-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 10017220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).