1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

C20H32N4O2 — CID 56738466

IUPAC1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1CCCN(C(=O)c2ccc(NCCN(C)C)nc2)C1
InChIInChI=1S/C20H32N4O2/c1-15(2)12-18(25)17-6-5-10-24(14-17)20(26)16-7-8-19(22-13-16)21-9-11-23(3)4/h7-8,13,15,17H,5-6,9-12,14H2,1-4H3,(H,21,22)
InChIKeyPYZDMDNYIHBZOB-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.52
Rot. Bonds8

About 1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one

1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (PubChem CID 56738466) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
PubChem CID56738466
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1CCCN(C(=O)c2ccc(NCCN(C)C)nc2)C1
InChIInChI=1S/C20H32N4O2/c1-15(2)12-18(25)17-6-5-10-24(14-17)20(26)16-7-8-19(22-13-16)21-9-11-23(3)4/h7-8,13,15,17H,5-6,9-12,14H2,1-4H3,(H,21,22)
InChIKeyPYZDMDNYIHBZOB-UHFFFAOYSA-N
XLogP2.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

1-[(3R)-1-[6-(2-hydroxyethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95208350
3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
CID 95208606
3-methyl-1-[1-[6-(2-pyridin-4-ylethylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56755608
1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56759098
3-methyl-1-[1-[6-(2-pyridin-3-ylethylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56759049
1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95215289
1-[(3S)-1-[6-(furan-3-ylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95557038
3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56753563
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229
3-methyl-1-[(3S)-1-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 95206981
1-[1-[6-(2-fluorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56738190
1-[(3S)-1-[6-(4-hydroxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95211661

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one (CID 56738466) is 1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is CC(C)CC(=O)C1CCCN(C(=O)c2ccc(NCCN(C)C)nc2)C1.
What is the InChIKey of 1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
The InChIKey is PYZDMDNYIHBZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15(2)12-18(25)17-6-5-10-24(14-17)20(26)16-7-8-19(22-13-16)21-9-11-23(3)4/h7-8,13,15,17H,5-6,9-12,14H2,1-4H3,(H,21,22).
What are the key properties of 1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one?
1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one has a molecular weight of 360.50 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one is sourced from PubChem (CID 56738466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).