(2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C15H19N5OS — CID 95620247

IUPAC(2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)[C@H]2CCCN2c2nccs2)nc1
InChIInChI=1S/C15H19N5OS/c1-19(2)11-5-6-13(17-10-11)18-14(21)12-4-3-8-20(12)15-16-7-9-22-15/h5-7,9-10,12H,3-4,8H2,1-2H3,(H,17,18,21)/t12-/m1/s1
InChIKeyUEHHXYJLYMHTCC-GFCCVEGCSA-N
MW317.42 g/mol
LogP2.21
Rot. Bonds4

About (2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 95620247) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID95620247
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)[C@H]2CCCN2c2nccs2)nc1
InChIInChI=1S/C15H19N5OS/c1-19(2)11-5-6-13(17-10-11)18-14(21)12-4-3-8-20(12)15-16-7-9-22-15/h5-7,9-10,12H,3-4,8H2,1-2H3,(H,17,18,21)/t12-/m1/s1
InChIKeyUEHHXYJLYMHTCC-GFCCVEGCSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 95620247) is (2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CN(C)c1ccc(NC(=O)[C@H]2CCCN2c2nccs2)nc1.
What is the InChIKey of (2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is UEHHXYJLYMHTCC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-19(2)11-5-6-13(17-10-11)18-14(21)12-4-3-8-20(12)15-16-7-9-22-15/h5-7,9-10,12H,3-4,8H2,1-2H3,(H,17,18,21)/t12-/m1/s1.
What are the key properties of (2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95620247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).