(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C16H21N3O3 — CID 110198721

IUPAC(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C1CCC1
InChIInChI=1S/C16H21N3O3/c1-17-15(20)14-8-13(22-12-6-3-7-18-9-12)10-19(14)16(21)11-4-2-5-11/h3,6-7,9,11,13-14H,2,4-5,8,10H2,1H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyYFAVREQHLBMIMT-KBPBESRZSA-N
MW303.36 g/mol
LogP0.98
Rot. Bonds4

About (2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198721) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198721
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C1CCC1
InChIInChI=1S/C16H21N3O3/c1-17-15(20)14-8-13(22-12-6-3-7-18-9-12)10-19(14)16(21)11-4-2-5-11/h3,6-7,9,11,13-14H,2,4-5,8,10H2,1H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyYFAVREQHLBMIMT-KBPBESRZSA-N
XLogP0.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-(cyclopentanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198738
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198242
(2S,4S)-1-(cyclohexanecarbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198800
(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197036
(2S,4S)-N-methyl-1-(3-phenylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198752
(2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198723
(2S,4S)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198771
(2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198730
(2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198726
methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate
CID 57169816
(2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198722
(2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198799

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198721) is (2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C1CCC1.
What is the InChIKey of (2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is YFAVREQHLBMIMT-KBPBESRZSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-17-15(20)14-8-13(22-12-6-3-7-18-9-12)10-19(14)16(21)11-4-2-5-11/h3,6-7,9,11,13-14H,2,4-5,8,10H2,1H3,(H,17,20)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).