(E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane

C67H86N8O8 — CID 142300456

IUPAC(E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane
SMILESCC.CC/C=C(C)/C(=C\c1cc(-c2cc(OC)cc(OC)c2)cn1N1CCOCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(C(C)C)cc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C33H40N4O3.C32H40N4O5.C2H6/c1-20(2)25-7-9-26(10-8-25)27-16-28-17-29(32(38)34-18-30-21(3)15-22(4)35-33(30)39)23(5)31(37(28)19-27)24(6)36-11-13-40-14-12-36;1-7-8-21(2)29(31(37)33-19-30-22(3)13-23(4)34-32(30)38)17-26-14-25(20-36(26)35-9-11-41-12-10-35)24-15-27(39-5)18-28(16-24)40-6;1-2/h7-10,15-17,19-20,24H,11-14,18H2,1-6H3,(H,34,38)(H,35,39);8,13-18,20H,7,9-12,19H2,1-6H3,(H,33,37)(H,34,38);1-2H3/b;21-8+,29-17+;
InChIKeyDXKXDCMIMAQWKQ-GJZRKFGVSA-N
MW1131.47 g/mol
LogP11.19
Rot. Bonds17

About (E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane

(E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane (PubChem CID 142300456) has the molecular formula C67H86N8O8 and a molecular weight of 1131.47 g/mol. Its IUPAC name is (E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane.

Molecular Properties

Compound Name(E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane
PubChem CID142300456
Molecular FormulaC67H86N8O8
Molecular Weight1131.47 g/mol
Exact Mass1130.66
IUPAC Name(E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane
SMILESCC.CC/C=C(C)/C(=C\c1cc(-c2cc(OC)cc(OC)c2)cn1N1CCOCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(C(C)C)cc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C33H40N4O3.C32H40N4O5.C2H6/c1-20(2)25-7-9-26(10-8-25)27-16-28-17-29(32(38)34-18-30-21(3)15-22(4)35-33(30)39)23(5)31(37(28)19-27)24(6)36-11-13-40-14-12-36;1-7-8-21(2)29(31(37)33-19-30-22(3)13-23(4)34-32(30)38)17-26-14-25(20-36(26)35-9-11-41-12-10-35)24-15-27(39-5)18-28(16-24)40-6;1-2/h7-10,15-17,19-20,24H,11-14,18H2,1-6H3,(H,34,38)(H,35,39);8,13-18,20H,7,9-12,19H2,1-6H3,(H,33,37)(H,34,38);1-2H3/b;21-8+,29-17+;
InChIKeyDXKXDCMIMAQWKQ-GJZRKFGVSA-N
XLogP11.19
TPSA176.66 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001131.47
LogP ≤ 511.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane?
The IUPAC name of (E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane (CID 142300456) is (E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane.
What is the SMILES notation for (E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane?
The canonical SMILES for (E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane is CC.CC/C=C(C)/C(=C\c1cc(-c2cc(OC)cc(OC)c2)cn1N1CCOCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc(C(C)C)cc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.
What is the InChIKey of (E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane?
The InChIKey is DXKXDCMIMAQWKQ-GJZRKFGVSA-N. The full InChI is InChI=1S/C33H40N4O3.C32H40N4O5.C2H6/c1-20(2)25-7-9-26(10-8-25)27-16-28-17-29(32(38)34-18-30-21(3)15-22(4)35-33(30)39)23(5)31(37(28)19-27)24(6)36-11-13-40-14-12-36;1-7-8-21(2)29(31(37)33-19-30-22(3)13-23(4)34-32(30)38)17-26-14-25(20-36(26)35-9-11-41-12-10-35)24-15-27(39-5)18-28(16-24)40-6;1-2/h7-10,15-17,19-20,24H,11-14,18H2,1-6H3,(H,34,38)(H,35,39);8,13-18,20H,7,9-12,19H2,1-6H3,(H,33,37)(H,34,38);1-2H3/b;21-8+,29-17+;.
What are the key properties of (E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane?
(E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane has a molecular weight of 1131.47 g/mol, XLogP of 11.19, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-[[4-(3,5-dimethoxyphenyl)-1-morpholin-4-ylpyrrol-2-yl]methylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylhex-3-enamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)indolizine-7-carboxamide;ethane is sourced from PubChem (CID 142300456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).