(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide

C15H21N7O2 — CID 100766883

IUPAC(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide
SMILESCN(C)c1ncccc1O[C@H]1CCN(C(=O)Nc2cnnn2C)C1
InChIInChI=1S/C15H21N7O2/c1-20(2)14-12(5-4-7-16-14)24-11-6-8-22(10-11)15(23)18-13-9-17-19-21(13)3/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,18,23)/t11-/m0/s1
InChIKeyMFBVLYZIATTYBG-NSHDSACASA-N
MW331.38 g/mol
LogP0.96
Rot. Bonds4

About (3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide

(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 100766883) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID100766883
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide
SMILESCN(C)c1ncccc1O[C@H]1CCN(C(=O)Nc2cnnn2C)C1
InChIInChI=1S/C15H21N7O2/c1-20(2)14-12(5-4-7-16-14)24-11-6-8-22(10-11)15(23)18-13-9-17-19-21(13)3/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,18,23)/t11-/m0/s1
InChIKeyMFBVLYZIATTYBG-NSHDSACASA-N
XLogP0.96
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129477549
(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
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
(5R)-5-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 129474182
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
[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129475193
[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 129333977
3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129476096
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 129329064

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide (CID 100766883) is (3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide is CN(C)c1ncccc1O[C@H]1CCN(C(=O)Nc2cnnn2C)C1.
What is the InChIKey of (3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is MFBVLYZIATTYBG-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N7O2/c1-20(2)14-12(5-4-7-16-14)24-11-6-8-22(10-11)15(23)18-13-9-17-19-21(13)3/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,18,23)/t11-/m0/s1.
What are the key properties of (3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide?
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 100766883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).