[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C17H21N5O — CID 124986912

IUPAC[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C17H21N5O/c1-12-8-14(21(2)3)9-15(20-12)13-4-7-22(11-13)17(23)16-10-18-5-6-19-16/h5-6,8-10,13H,4,7,11H2,1-3H3/t13-/m0/s1
InChIKeyOCAJBSHPPXDHRY-ZDUSSCGKSA-N
MW311.39 g/mol
LogP1.88
Rot. Bonds3

About [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 124986912) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID124986912
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C17H21N5O/c1-12-8-14(21(2)3)9-15(20-12)13-4-7-22(11-13)17(23)16-10-18-5-6-19-16/h5-6,8-10,13H,4,7,11H2,1-3H3/t13-/m0/s1
InChIKeyOCAJBSHPPXDHRY-ZDUSSCGKSA-N
XLogP1.88
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(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
[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95828652
5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 124963837
[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110252560
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124993779
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110105995
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 110105993
[(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 125008719
[(3R)-3-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95824177
[(2R)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124972759
[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110117008

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 124986912) is [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cnccn3)C2)n1.
What is the InChIKey of [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is OCAJBSHPPXDHRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-8-14(21(2)3)9-15(20-12)13-4-7-22(11-13)17(23)16-10-18-5-6-19-16/h5-6,8-10,13H,4,7,11H2,1-3H3/t13-/m0/s1.
What are the key properties of [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 311.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 124986912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).