2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide

C16H21N3O4 — CID 71145261

IUPAC2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1O[C@@H]1CCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C16H21N3O4/c17-14(20)13-2-1-6-18-15(13)23-12-3-7-19(10-12)16(21)11-4-8-22-9-5-11/h1-2,6,11-12H,3-5,7-10H2,(H2,17,20)/t12-/m1/s1
InChIKeyWWGBQQAYGGIFKV-GFCCVEGCSA-N
MW319.36 g/mol
LogP0.59
Rot. Bonds4

About 2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide

2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide (PubChem CID 71145261) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
PubChem CID71145261
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1O[C@@H]1CCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C16H21N3O4/c17-14(20)13-2-1-6-18-15(13)23-12-3-7-19(10-12)16(21)11-4-8-22-9-5-11/h1-2,6,11-12H,3-5,7-10H2,(H2,17,20)/t12-/m1/s1
InChIKeyWWGBQQAYGGIFKV-GFCCVEGCSA-N
XLogP0.59
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 91904278
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
CID 91904308
cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243258
oxan-4-yl-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91815793
cyclopropyl-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 118676010
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
CID 122249860
2-pyrrolidin-3-yloxypyridine-3-carboxamide
CID 62347808
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 91627512
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267
oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162054

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide (CID 71145261) is 2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide is NC(=O)c1cccnc1O[C@@H]1CCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of 2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
The InChIKey is WWGBQQAYGGIFKV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O4/c17-14(20)13-2-1-6-18-15(13)23-12-3-7-19(10-12)16(21)11-4-8-22-9-5-11/h1-2,6,11-12H,3-5,7-10H2,(H2,17,20)/t12-/m1/s1.
What are the key properties of 2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide?
2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 71145261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).