2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide

C20H32N4O3 — CID 120814784

IUPAC2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C20H32N4O3/c1-12(2)22-16(25)10-24-14(4)18(13(3)9-17(24)26)19(27)23-8-7-15(21)20(5,6)11-23/h9,12,15H,7-8,10-11,21H2,1-6H3,(H,22,25)
InChIKeyAPJVUAZQZICFIQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.19
Rot. Bonds4

About 2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide

2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 120814784) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide
PubChem CID120814784
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C20H32N4O3/c1-12(2)22-16(25)10-24-14(4)18(13(3)9-17(24)26)19(27)23-8-7-15(21)20(5,6)11-23/h9,12,15H,7-8,10-11,21H2,1-6H3,(H,22,25)
InChIKeyAPJVUAZQZICFIQ-UHFFFAOYSA-N
XLogP1.19
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 120774308
2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 75534030
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 119643420
1-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 120815264
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride
CID 120814203
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
CID 120819381
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 120816019
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 114267680
methyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
CID 115269783
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide (CID 120814784) is 2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide is Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is APJVUAZQZICFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-12(2)22-16(25)10-24-14(4)18(13(3)9-17(24)26)19(27)23-8-7-15(21)20(5,6)11-23/h9,12,15H,7-8,10-11,21H2,1-6H3,(H,22,25).
What are the key properties of 2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide has a molecular weight of 376.50 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 120814784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).