5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide

C32H44N6O2 — CID 156907504

IUPAC5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3cccnc3)cn2c1C(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C32H44N6O2/c1-20-14-21(2)35-32(40)29(20)18-34-31(39)28-16-27-15-25(24-8-7-11-33-17-24)19-38(27)30(22(28)3)23(4)37-12-9-26(10-13-37)36(5)6/h7-8,11,15-17,19-21,23,26,29H,9-10,12-14,18H2,1-6H3,(H,34,39)(H,35,40)
InChIKeyFJVJTHXBEJIUEK-UHFFFAOYSA-N
MW544.74 g/mol
LogP4.29
Rot. Bonds7

About 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide (PubChem CID 156907504) has the molecular formula C32H44N6O2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide.

Molecular Properties

Compound Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide
PubChem CID156907504
Molecular FormulaC32H44N6O2
Molecular Weight544.74 g/mol
Exact Mass544.35
IUPAC Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3cccnc3)cn2c1C(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C32H44N6O2/c1-20-14-21(2)35-32(40)29(20)18-34-31(39)28-16-27-15-25(24-8-7-11-33-17-24)19-38(27)30(22(28)3)23(4)37-12-9-26(10-13-37)36(5)6/h7-8,11,15-17,19-21,23,26,29H,9-10,12-14,18H2,1-6H3,(H,34,39)(H,35,40)
InChIKeyFJVJTHXBEJIUEK-UHFFFAOYSA-N
XLogP4.29
TPSA81.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.74
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide?
The IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide (CID 156907504) is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide.
What is the SMILES notation for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide?
The canonical SMILES for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3cccnc3)cn2c1C(C)N1CCC(N(C)C)CC1.
What is the InChIKey of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide?
The InChIKey is FJVJTHXBEJIUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N6O2/c1-20-14-21(2)35-32(40)29(20)18-34-31(39)28-16-27-15-25(24-8-7-11-33-17-24)19-38(27)30(22(28)3)23(4)37-12-9-26(10-13-37)36(5)6/h7-8,11,15-17,19-21,23,26,29H,9-10,12-14,18H2,1-6H3,(H,34,39)(H,35,40).
What are the key properties of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide?
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide has a molecular weight of 544.74 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-2-pyridin-3-ylindolizine-7-carboxamide is sourced from PubChem (CID 156907504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).