5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C19H24N4O2 — CID 124963837

IUPAC5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-13-9-16(21(2)3)10-17(20-13)14-7-8-23(12-14)19(25)15-5-6-18(24)22(4)11-15/h5-6,9-11,14H,7-8,12H2,1-4H3/t14-/m0/s1
InChIKeyHTBXHDMMCVNJOG-AWEZNQCLSA-N
MW340.43 g/mol
LogP1.78
Rot. Bonds3

About 5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 124963837) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID124963837
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-13-9-16(21(2)3)10-17(20-13)14-7-8-23(12-14)19(25)15-5-6-18(24)22(4)11-15/h5-6,9-11,14H,7-8,12H2,1-4H3/t14-/m0/s1
InChIKeyHTBXHDMMCVNJOG-AWEZNQCLSA-N
XLogP1.78
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 124974066
5-[(3S)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95834921
1-methyl-5-[3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 110102509
[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95845523
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 175658969
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 124986912
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110105995
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124993779
[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95828652
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 110105993
N,N,2-trimethyl-6-[(3R)-1-methylpiperidin-3-yl]pyridin-4-amine
CID 125000369
1-methyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]pyridin-2-one
CID 127339699

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 124963837) is 5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1.
What is the InChIKey of 5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is HTBXHDMMCVNJOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-9-16(21(2)3)10-17(20-13)14-7-8-23(12-14)19(25)15-5-6-18(24)22(4)11-15/h5-6,9-11,14H,7-8,12H2,1-4H3/t14-/m0/s1.
What are the key properties of 5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 124963837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).