(3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C16H24N4O3 — CID 94147067

IUPAC(3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1C[C@H](C(=O)NCc2ccnc(N(C)C)c2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-19(2)14-8-12(4-5-17-14)10-18-16(22)13-9-15(21)20(11-13)6-7-23-3/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyJDTWVFVFQZIPSP-CYBMUJFWSA-N
MW320.39 g/mol
LogP0.26
Rot. Bonds7

About (3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 94147067) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID94147067
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1C[C@H](C(=O)NCc2ccnc(N(C)C)c2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-19(2)14-8-12(4-5-17-14)10-18-16(22)13-9-15(21)20(11-13)6-7-23-3/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyJDTWVFVFQZIPSP-CYBMUJFWSA-N
XLogP0.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(2-methoxyethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 51077316
(3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 94177564
1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 51078198
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46417928
(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963
5-oxo-1-pentyl-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 42882093
N-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-propylpyrrolidine-3-carboxamide
CID 113181947
(3S,4S)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963403
1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 75490757
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119625881
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113182010

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 94147067) is (3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1C[C@H](C(=O)NCc2ccnc(N(C)C)c2)CC1=O.
What is the InChIKey of (3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JDTWVFVFQZIPSP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19(2)14-8-12(4-5-17-14)10-18-16(22)13-9-15(21)20(11-13)6-7-23-3/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94147067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).