4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide

C24H28N8O2 — CID 58379488

IUPAC4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1
InChIInChI=1S/C24H28N8O2/c1-25-23(33)31-11-9-16(10-12-31)32-22-19(30(4)24(32)34)14-26-18-7-6-17(28-21(18)22)15-5-8-20(27-13-15)29(2)3/h5-8,13-14,16H,9-12H2,1-4H3,(H,25,33)
InChIKeyGEFIJVBUAHDDEM-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.39
Rot. Bonds3

About 4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide

4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 58379488) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide
PubChem CID58379488
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1
InChIInChI=1S/C24H28N8O2/c1-25-23(33)31-11-9-16(10-12-31)32-22-19(30(4)24(32)34)14-26-18-7-6-17(28-21(18)22)15-5-8-20(27-13-15)29(2)3/h5-8,13-14,16H,9-12H2,1-4H3,(H,25,33)
InChIKeyGEFIJVBUAHDDEM-UHFFFAOYSA-N
XLogP2.39
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide (CID 58379488) is 4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1.
What is the InChIKey of 4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is GEFIJVBUAHDDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-25-23(33)31-11-9-16(10-12-31)32-22-19(30(4)24(32)34)14-26-18-7-6-17(28-21(18)22)15-5-8-20(27-13-15)29(2)3/h5-8,13-14,16H,9-12H2,1-4H3,(H,25,33).
What are the key properties of 4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide?
4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 58379488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).