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

C32H40N6O2 — CID 156907546

IUPAC5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3ccncc3)cn2c(C(C)N2CCC(N(C)C)CC2)c1C
InChIInChI=1S/C32H40N6O2/c1-20-15-21(2)35-32(40)29(20)18-34-31(39)28-17-27-16-25(24-7-11-33-12-8-24)19-38(27)30(22(28)3)23(4)37-13-9-26(10-14-37)36(5)6/h7-8,11-12,15-17,19,23,26,29H,9-10,13-14,18H2,1-6H3,(H,34,39)
InChIKeyDFTNFXQQHYGNIX-UHFFFAOYSA-N
MW540.71 g/mol
LogP4.69
Rot. Bonds7

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

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide (PubChem CID 156907546) has the molecular formula C32H40N6O2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide.

Molecular Properties

Compound Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide
PubChem CID156907546
Molecular FormulaC32H40N6O2
Molecular Weight540.71 g/mol
Exact Mass540.32
IUPAC Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3ccncc3)cn2c(C(C)N2CCC(N(C)C)CC2)c1C
InChIInChI=1S/C32H40N6O2/c1-20-15-21(2)35-32(40)29(20)18-34-31(39)28-17-27-16-25(24-7-11-33-12-8-24)19-38(27)30(22(28)3)23(4)37-13-9-26(10-14-37)36(5)6/h7-8,11-12,15-17,19,23,26,29H,9-10,13-14,18H2,1-6H3,(H,34,39)
InChIKeyDFTNFXQQHYGNIX-UHFFFAOYSA-N
XLogP4.69
TPSA82.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.71
LogP ≤ 54.69
H-Bond Donors ≤ 51
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-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide?
The IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide (CID 156907546) is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide.
What is the SMILES notation for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide?
The canonical SMILES for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3ccncc3)cn2c(C(C)N2CCC(N(C)C)CC2)c1C.
What is the InChIKey of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide?
The InChIKey is DFTNFXQQHYGNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O2/c1-20-15-21(2)35-32(40)29(20)18-34-31(39)28-17-27-16-25(24-7-11-33-12-8-24)19-38(27)30(22(28)3)23(4)37-13-9-26(10-14-37)36(5)6/h7-8,11-12,15-17,19,23,26,29H,9-10,13-14,18H2,1-6H3,(H,34,39).
What are the key properties of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide?
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide has a molecular weight of 540.71 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 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-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxamide is sourced from PubChem (CID 156907546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).