3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C20H26N4O2 — CID 124982788

IUPAC3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCNc1cc([C@H]2CCCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)ccn1
InChIInChI=1S/C20H26N4O2/c1-13(2)17-7-6-16(19(25)23-17)20(26)24-10-4-5-15(12-24)14-8-9-22-18(11-14)21-3/h6-9,11,13,15H,4-5,10,12H2,1-3H3,(H,21,22)(H,23,25)/t15-/m0/s1
InChIKeyMZOKCJDFSRFXKH-HNNXBMFYSA-N
MW354.45 g/mol
LogP2.95
Rot. Bonds4

About 3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 124982788) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID124982788
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCNc1cc([C@H]2CCCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)ccn1
InChIInChI=1S/C20H26N4O2/c1-13(2)17-7-6-16(19(25)23-17)20(26)24-10-4-5-15(12-24)14-8-9-22-18(11-14)21-3/h6-9,11,13,15H,4-5,10,12H2,1-3H3,(H,21,22)(H,23,25)/t15-/m0/s1
InChIKeyMZOKCJDFSRFXKH-HNNXBMFYSA-N
XLogP2.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110105747
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone
CID 125002735
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124967467
3-[3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 110105858
1,3-benzodioxol-5-yl-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124997041
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 125011212
5,5-dimethyl-3-[2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124955043
(3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 110105793
2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125022184
3-(4-fluorophenyl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 125018293
1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110105830

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 124982788) is 3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CNc1cc([C@H]2CCCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)ccn1.
What is the InChIKey of 3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is MZOKCJDFSRFXKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(2)17-7-6-16(19(25)23-17)20(26)24-10-4-5-15(12-24)14-8-9-22-18(11-14)21-3/h6-9,11,13,15H,4-5,10,12H2,1-3H3,(H,21,22)(H,23,25)/t15-/m0/s1.
What are the key properties of 3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 124982788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).