(3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C17H20N4O2S — CID 97191463

IUPAC(3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1csc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1
InChIInChI=1S/C17H20N4O2S/c1-12-11-24-15(19-12)10-20(2)17(23)13-7-16(22)21(8-13)9-14-5-3-4-6-18-14/h3-6,11,13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyOJRZHJYEEQZKKH-CYBMUJFWSA-N
MW344.44 g/mol
LogP1.85
Rot. Bonds5

About (3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

(3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97191463) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID97191463
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1csc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1
InChIInChI=1S/C17H20N4O2S/c1-12-11-24-15(19-12)10-20(2)17(23)13-7-16(22)21(8-13)9-14-5-3-4-6-18-14/h3-6,11,13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyOJRZHJYEEQZKKH-CYBMUJFWSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97191464
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 60529709
(3R)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38825226
2-methyl-5-[[methyl-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125150247
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72935080
(3R)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97134382
(3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42362724
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 146038100
(3S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 51729566
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38497587
N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 53498759
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 94097425

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 97191463) is (3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1csc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1.
What is the InChIKey of (3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is OJRZHJYEEQZKKH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-11-24-15(19-12)10-20(2)17(23)13-7-16(22)21(8-13)9-14-5-3-4-6-18-14/h3-6,11,13H,7-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97191463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).