N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide

C28H33N5O3S — CID 156907521

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cc(-c3nccs3)cn12)C1CCOCC1
InChIInChI=1S/C28H33N5O3S/c1-5-32(21-6-9-36-10-7-21)28-19(4)23(14-22-13-20(16-33(22)28)27-29-8-11-37-27)25(34)30-15-24-17(2)12-18(3)31-26(24)35/h8,11-14,16,21,24H,5-7,9-10,15H2,1-4H3,(H,30,34)
InChIKeyUSPZMWPSKGBNLU-UHFFFAOYSA-N
MW519.67 g/mol
LogP4.67
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide (PubChem CID 156907521) has the molecular formula C28H33N5O3S and a molecular weight of 519.67 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide
PubChem CID156907521
Molecular FormulaC28H33N5O3S
Molecular Weight519.67 g/mol
Exact Mass519.23
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cc(-c3nccs3)cn12)C1CCOCC1
InChIInChI=1S/C28H33N5O3S/c1-5-32(21-6-9-36-10-7-21)28-19(4)23(14-22-13-20(16-33(22)28)27-29-8-11-37-27)25(34)30-15-24-17(2)12-18(3)31-26(24)35/h8,11-14,16,21,24H,5-7,9-10,15H2,1-4H3,(H,30,34)
InChIKeyUSPZMWPSKGBNLU-UHFFFAOYSA-N
XLogP4.67
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.67
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide (CID 156907521) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide is CCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cc(-c3nccs3)cn12)C1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide?
The InChIKey is USPZMWPSKGBNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3S/c1-5-32(21-6-9-36-10-7-21)28-19(4)23(14-22-13-20(16-33(22)28)27-29-8-11-37-27)25(34)30-15-24-17(2)12-18(3)31-26(24)35/h8,11-14,16,21,24H,5-7,9-10,15H2,1-4H3,(H,30,34).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide has a molecular weight of 519.67 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide is sourced from PubChem (CID 156907521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).