7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide

C23H28N4O3 — CID 56565515

IUPAC7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NC3CCN(Cc4ccccn4)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C23H28N4O3/c1-23(2)12-19-17(20(28)13-23)11-18(22(30)26-19)21(29)25-15-6-9-27(10-7-15)14-16-5-3-4-8-24-16/h3-5,8,11,15H,6-7,9-10,12-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyYEEOFJUZVYKAEA-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.32
Rot. Bonds4

About 7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide

7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56565515) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56565515
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NC3CCN(Cc4ccccn4)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C23H28N4O3/c1-23(2)12-19-17(20(28)13-23)11-18(22(30)26-19)21(29)25-15-6-9-27(10-7-15)14-16-5-3-4-8-24-16/h3-5,8,11,15H,6-7,9-10,12-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyYEEOFJUZVYKAEA-UHFFFAOYSA-N
XLogP2.32
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

7,7-dimethyl-2,5-dioxo-N-(1-propylsulfonylpiperidin-4-yl)-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56563593
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964
5-chloro-4,6-dimethyl-2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyridine-3-carboxamide
CID 74243432
2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991
2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 55859618
7,7-dimethyl-2,5-dioxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56562776
7,7-dimethyl-N-(3-methylpiperidin-4-yl)-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide;hydrochloride
CID 120555189
1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide
CID 75461600
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 136519848
7,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560335

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of 7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56565515) is 7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)NC3CCN(Cc4ccccn4)CC3)c(=O)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is YEEOFJUZVYKAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-23(2)12-19-17(20(28)13-23)11-18(22(30)26-19)21(29)25-15-6-9-27(10-7-15)14-16-5-3-4-8-24-16/h3-5,8,11,15H,6-7,9-10,12-14H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide?
7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,5-dioxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56565515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).