3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide

C18H23N5O2 — CID 128993059

IUPAC3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCc1cncc(NC(=O)N2CCC(Oc3cccnc3N(C)C)C2)c1
InChIInChI=1S/C18H23N5O2/c1-13-9-14(11-19-10-13)21-18(24)23-8-6-15(12-23)25-16-5-4-7-20-17(16)22(2)3/h4-5,7,9-11,15H,6,8,12H2,1-3H3,(H,21,24)
InChIKeyBKSDEECAPYJJGK-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.54
Rot. Bonds4

About 3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide

3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 128993059) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID128993059
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCc1cncc(NC(=O)N2CCC(Oc3cccnc3N(C)C)C2)c1
InChIInChI=1S/C18H23N5O2/c1-13-9-14(11-19-10-13)21-18(24)23-8-6-15(12-23)25-16-5-4-7-20-17(16)22(2)3/h4-5,7,9-11,15H,6,8,12H2,1-3H3,(H,21,24)
InChIKeyBKSDEECAPYJJGK-UHFFFAOYSA-N
XLogP2.54
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 129335915
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 129335916
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129477549
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 129477628
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide
CID 100766883
[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129475193
[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129476756
1-[(3R)-3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 129340088
1-[3-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 128965218
[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 129333977
[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 129475975
(5R)-5-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 129474182

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide (CID 128993059) is 3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide is Cc1cncc(NC(=O)N2CCC(Oc3cccnc3N(C)C)C2)c1.
What is the InChIKey of 3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is BKSDEECAPYJJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-9-14(11-19-10-13)21-18(24)23-8-6-15(12-23)25-16-5-4-7-20-17(16)22(2)3/h4-5,7,9-11,15H,6,8,12H2,1-3H3,(H,21,24).
What are the key properties of 3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide?
3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128993059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).