(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide

C15H22N4O3 — CID 110197036

IUPAC(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
SMILESCCCNC(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)NC
InChIInChI=1S/C15H22N4O3/c1-3-6-18-15(21)19-10-12(8-13(19)14(20)16-2)22-11-5-4-7-17-9-11/h4-5,7,9,12-13H,3,6,8,10H2,1-2H3,(H,16,20)(H,18,21)/t12-,13+/m0/s1
InChIKeyNEQYSCDNTJITLW-QWHCGFSZSA-N
MW306.37 g/mol
LogP0.77
Rot. Bonds5

About (2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide

(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide (PubChem CID 110197036) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
PubChem CID110197036
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
SMILESCCCNC(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)NC
InChIInChI=1S/C15H22N4O3/c1-3-6-18-15(21)19-10-12(8-13(19)14(20)16-2)22-11-5-4-7-17-9-11/h4-5,7,9,12-13H,3,6,8,10H2,1-2H3,(H,16,20)(H,18,21)/t12-,13+/m0/s1
InChIKeyNEQYSCDNTJITLW-QWHCGFSZSA-N
XLogP0.77
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197066
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198721
(2S,4S)-1-(cyclopentanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198738
(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-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198799
(2R,4S)-2-N-(2-methoxyethyl)-1-N-phenyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197058
(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-(cyclohexanecarbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198800
(2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198726
(2R,4S)-1-N-[(4-methoxyphenyl)methyl]-2-N-methyl-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 110196892

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide (CID 110197036) is (2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide is CCCNC(=O)N1C[C@@H](Oc2cccnc2)C[C@@H]1C(=O)NC.
What is the InChIKey of (2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
The InChIKey is NEQYSCDNTJITLW-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-6-18-15(21)19-10-12(8-13(19)14(20)16-2)22-11-5-4-7-17-9-11/h4-5,7,9,12-13H,3,6,8,10H2,1-2H3,(H,16,20)(H,18,21)/t12-,13+/m0/s1.
What are the key properties of (2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide?
(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 110197036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).