5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

C17H21N5O2 — CID 124972441

IUPAC5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCN(C)c1cc([C@@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)ccn1
InChIInChI=1S/C17H21N5O2/c1-21(2)15-8-12(5-6-19-15)13-4-3-7-22(10-13)17(24)14-9-18-11-20-16(14)23/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,18,20,23)/t13-/m1/s1
InChIKeyKCYRXVTYFOXBNX-CYBMUJFWSA-N
MW327.39 g/mol
LogP1.25
Rot. Bonds3

About 5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 124972441) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID124972441
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCN(C)c1cc([C@@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)ccn1
InChIInChI=1S/C17H21N5O2/c1-21(2)15-8-12(5-6-19-15)13-4-3-7-22(10-13)17(24)14-9-18-11-20-16(14)23/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,18,20,23)/t13-/m1/s1
InChIKeyKCYRXVTYFOXBNX-CYBMUJFWSA-N
XLogP1.25
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 110105858
3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 125023343
[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 125027034
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
[3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 127246886
1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
5-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56902577
5-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110091367
N,N-dimethyl-4-(1-pyridin-4-ylpiperidin-3-yl)pyridin-2-amine
CID 110269030

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 124972441) is 5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is CN(C)c1cc([C@@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)ccn1.
What is the InChIKey of 5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is KCYRXVTYFOXBNX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21(2)15-8-12(5-6-19-15)13-4-3-7-22(10-13)17(24)14-9-18-11-20-16(14)23/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3,(H,18,20,23)/t13-/m1/s1.
What are the key properties of 5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 327.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 124972441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).