5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine

C67H89Cl2N11O2 — CID 173145418

IUPAC5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine
SMILESC(=CC1CCNCC1)c1cncc(OCC2CC2)c1.C(=CC1CNC1)c1cncnc1.CN1CCC(C=Cc2ccc(Cl)nc2)CC1.CN1CCC(C=Cc2cncc(OCC3CC3)c2)CC1.Clc1ccc(C=CC2CCNCC2)cn1
InChIInChI=1S/C17H24N2O.C16H22N2O.C13H17ClN2.C12H15ClN2.C9H11N3/c1-19-8-6-14(7-9-19)2-5-16-10-17(12-18-11-16)20-13-15-3-4-15;1(13-5-7-17-8-6-13)4-15-9-16(11-18-10-15)19-12-14-2-3-14;1-16-8-6-11(7-9-16)2-3-12-4-5-13(14)15-10-12;13-12-4-3-11(9-15-12)2-1-10-5-7-14-8-6-10;1(8-3-10-4-8)2-9-5-11-7-12-6-9/h2,5,10-12,14-15H,3-4,6-9,13H2,1H3;1,4,9-11,13-14,17H,2-3,5-8,12H2;2-5,10-11H,6-9H2,1H3;1-4,9-10,14H,5-8H2;1-2,5-8,10H,3-4H2
InChIKeyLSBARYANQFNNBO-UHFFFAOYSA-N
MW1151.43 g/mol
LogP12.66
Rot. Bonds16

About 5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine

5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine (PubChem CID 173145418) has the molecular formula C67H89Cl2N11O2 and a molecular weight of 1151.43 g/mol. Its IUPAC name is 5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine.

Molecular Properties

Compound Name5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine
PubChem CID173145418
Molecular FormulaC67H89Cl2N11O2
Molecular Weight1151.43 g/mol
Exact Mass1149.66
IUPAC Name5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine
SMILESC(=CC1CCNCC1)c1cncc(OCC2CC2)c1.C(=CC1CNC1)c1cncnc1.CN1CCC(C=Cc2ccc(Cl)nc2)CC1.CN1CCC(C=Cc2cncc(OCC3CC3)c2)CC1.Clc1ccc(C=CC2CCNCC2)cn1
InChIInChI=1S/C17H24N2O.C16H22N2O.C13H17ClN2.C12H15ClN2.C9H11N3/c1-19-8-6-14(7-9-19)2-5-16-10-17(12-18-11-16)20-13-15-3-4-15;1(13-5-7-17-8-6-13)4-15-9-16(11-18-10-15)19-12-14-2-3-14;1-16-8-6-11(7-9-16)2-3-12-4-5-13(14)15-10-12;13-12-4-3-11(9-15-12)2-1-10-5-7-14-8-6-10;1(8-3-10-4-8)2-9-5-11-7-12-6-9/h2,5,10-12,14-15H,3-4,6-9,13H2,1H3;1,4,9-11,13-14,17H,2-3,5-8,12H2;2-5,10-11H,6-9H2,1H3;1-4,9-10,14H,5-8H2;1-2,5-8,10H,3-4H2
InChIKeyLSBARYANQFNNBO-UHFFFAOYSA-N
XLogP12.66
TPSA138.37 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001151.43
LogP ≤ 512.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine?
The IUPAC name of 5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine (CID 173145418) is 5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine.
What is the SMILES notation for 5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine?
The canonical SMILES for 5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine is C(=CC1CCNCC1)c1cncc(OCC2CC2)c1.C(=CC1CNC1)c1cncnc1.CN1CCC(C=Cc2ccc(Cl)nc2)CC1.CN1CCC(C=Cc2cncc(OCC3CC3)c2)CC1.Clc1ccc(C=CC2CCNCC2)cn1.
What is the InChIKey of 5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine?
The InChIKey is LSBARYANQFNNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.C16H22N2O.C13H17ClN2.C12H15ClN2.C9H11N3/c1-19-8-6-14(7-9-19)2-5-16-10-17(12-18-11-16)20-13-15-3-4-15;1(13-5-7-17-8-6-13)4-15-9-16(11-18-10-15)19-12-14-2-3-14;1-16-8-6-11(7-9-16)2-3-12-4-5-13(14)15-10-12;13-12-4-3-11(9-15-12)2-1-10-5-7-14-8-6-10;1(8-3-10-4-8)2-9-5-11-7-12-6-9/h2,5,10-12,14-15H,3-4,6-9,13H2,1H3;1,4,9-11,13-14,17H,2-3,5-8,12H2;2-5,10-11H,6-9H2,1H3;1-4,9-10,14H,5-8H2;1-2,5-8,10H,3-4H2.
What are the key properties of 5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine?
5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine has a molecular weight of 1151.43 g/mol, XLogP of 12.66, 16 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-3-yl)ethenyl]pyrimidine;2-chloro-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;2-chloro-5-(2-piperidin-4-ylethenyl)pyridine;3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine;3-(cyclopropylmethoxy)-5-(2-piperidin-4-ylethenyl)pyridine is sourced from PubChem (CID 173145418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).