(3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C16H24N4O2 — CID 94171902

IUPAC(3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C)C2)cn1
InChIInChI=1S/C16H24N4O2/c1-4-20(5-2)14-7-6-12(9-17-14)10-18-16(22)13-8-15(21)19(3)11-13/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyHDEGNGALQSELBA-CYBMUJFWSA-N
MW304.39 g/mol
LogP1.02
Rot. Bonds6

About (3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 94171902) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID94171902
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C)C2)cn1
InChIInChI=1S/C16H24N4O2/c1-4-20(5-2)14-7-6-12(9-17-14)10-18-16(22)13-8-15(21)19(3)11-13/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyHDEGNGALQSELBA-CYBMUJFWSA-N
XLogP1.02
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633158
(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 126431332
N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 42956709
1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea
CID 87004087
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpropanamide
CID 119846340
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71895452
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
(1S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51953637
(2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97259219
2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
CID 119846342
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986667
N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 166541739

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 94171902) is (3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C)C2)cn1.
What is the InChIKey of (3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HDEGNGALQSELBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-20(5-2)14-7-6-12(9-17-14)10-18-16(22)13-8-15(21)19(3)11-13/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94171902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).