4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione

C21H25N5O3 — CID 163381699

IUPAC4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCOc1ncccc1CN1CCC(n2c(=O)c(=O)n(C)c3ccc(C)nc32)CC1
InChIInChI=1S/C21H25N5O3/c1-14-6-7-17-18(23-14)26(21(28)20(27)24(17)2)16-8-11-25(12-9-16)13-15-5-4-10-22-19(15)29-3/h4-7,10,16H,8-9,11-13H2,1-3H3
InChIKeyJFBZAPVAPWZIFB-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.64
Rot. Bonds4

About 4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione

4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 163381699) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione
PubChem CID163381699
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCOc1ncccc1CN1CCC(n2c(=O)c(=O)n(C)c3ccc(C)nc32)CC1
InChIInChI=1S/C21H25N5O3/c1-14-6-7-17-18(23-14)26(21(28)20(27)24(17)2)16-8-11-25(12-9-16)13-15-5-4-10-22-19(15)29-3/h4-7,10,16H,8-9,11-13H2,1-3H3
InChIKeyJFBZAPVAPWZIFB-UHFFFAOYSA-N
XLogP1.64
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione with MolForge

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Related Compounds

6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione
CID 170600711
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine
CID 82701884
methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
(2R,3aR,7aS)-5-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 124831403
methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
CID 115537166
2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 22678532
1-(2-bromoethyl)-4-[(2-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 80667519
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione (CID 163381699) is 4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione is COc1ncccc1CN1CCC(n2c(=O)c(=O)n(C)c3ccc(C)nc32)CC1.
What is the InChIKey of 4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is JFBZAPVAPWZIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-6-7-17-18(23-14)26(21(28)20(27)24(17)2)16-8-11-25(12-9-16)13-15-5-4-10-22-19(15)29-3/h4-7,10,16H,8-9,11-13H2,1-3H3.
What are the key properties of 4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione?
4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 395.46 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1,6-dimethylpyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 163381699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).