(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide

C17H21N5O2 — CID 129477549

IUPAC(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESCN(C)c1ncccc1O[C@@H]1CCN(C(=O)Nc2ccccn2)C1
InChIInChI=1S/C17H21N5O2/c1-21(2)16-14(6-5-10-19-16)24-13-8-11-22(12-13)17(23)20-15-7-3-4-9-18-15/h3-7,9-10,13H,8,11-12H2,1-2H3,(H,18,20,23)/t13-/m1/s1
InChIKeyRKDFJEXRPIUTLL-CYBMUJFWSA-N
MW327.39 g/mol
LogP2.23
Rot. Bonds4

About (3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide

(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide (PubChem CID 129477549) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
PubChem CID129477549
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESCN(C)c1ncccc1O[C@@H]1CCN(C(=O)Nc2ccccn2)C1
InChIInChI=1S/C17H21N5O2/c1-21(2)16-14(6-5-10-19-16)24-13-8-11-22(12-13)17(23)20-15-7-3-4-9-18-15/h3-7,9-10,13H,8,11-12H2,1-2H3,(H,18,20,23)/t13-/m1/s1
InChIKeyRKDFJEXRPIUTLL-CYBMUJFWSA-N
XLogP2.23
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.23
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
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide
CID 100766883
3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 128993059
(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-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 129329064
1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 128965314
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
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 128967651
1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
CID 129475491

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide (CID 129477549) is (3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide is CN(C)c1ncccc1O[C@@H]1CCN(C(=O)Nc2ccccn2)C1.
What is the InChIKey of (3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is RKDFJEXRPIUTLL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21(2)16-14(6-5-10-19-16)24-13-8-11-22(12-13)17(23)20-15-7-3-4-9-18-15/h3-7,9-10,13H,8,11-12H2,1-2H3,(H,18,20,23)/t13-/m1/s1.
What are the key properties of (3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide?
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 129477549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).