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

C26H32N4O3 — CID 156907472

IUPACN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cccn2c1C(C)OCc1ccncc1
InChIInChI=1S/C26H32N4O3/c1-16-12-17(2)29-26(32)23(16)14-28-25(31)22-13-21-6-5-11-30(21)24(18(22)3)19(4)33-15-20-7-9-27-10-8-20/h5-11,13,16-17,19,23H,12,14-15H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyZNLNEYMVLDFFOR-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.81
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide (PubChem CID 156907472) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide
PubChem CID156907472
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cccn2c1C(C)OCc1ccncc1
InChIInChI=1S/C26H32N4O3/c1-16-12-17(2)29-26(32)23(16)14-28-25(31)22-13-21-6-5-11-30(21)24(18(22)3)19(4)33-15-20-7-9-27-10-8-20/h5-11,13,16-17,19,23H,12,14-15H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyZNLNEYMVLDFFOR-UHFFFAOYSA-N
XLogP3.81
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide (CID 156907472) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cccn2c1C(C)OCc1ccncc1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide?
The InChIKey is ZNLNEYMVLDFFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-16-12-17(2)29-26(32)23(16)14-28-25(31)22-13-21-6-5-11-30(21)24(18(22)3)19(4)33-15-20-7-9-27-10-8-20/h5-11,13,16-17,19,23H,12,14-15H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-[1-(pyridin-4-ylmethoxy)ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).