(4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide

C17H21N3O3S — CID 90215320

IUPAC(4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C17H21N3O3S/c18-15(21)14-8-24-9-20(14)17(22)13-6-5-12(11-3-4-11)16(19-13)23-7-10-1-2-10/h5-6,10-11,14H,1-4,7-9H2,(H2,18,21)/t14-/m0/s1
InChIKeyPACWXBITGZWEJG-AWEZNQCLSA-N
MW347.44 g/mol
LogP1.75
Rot. Bonds6

About (4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 90215320) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID90215320
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C17H21N3O3S/c18-15(21)14-8-24-9-20(14)17(22)13-6-5-12(11-3-4-11)16(19-13)23-7-10-1-2-10/h5-6,10-11,14H,1-4,7-9H2,(H2,18,21)/t14-/m0/s1
InChIKeyPACWXBITGZWEJG-AWEZNQCLSA-N
XLogP1.75
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 90215320) is (4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide is NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of (4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is PACWXBITGZWEJG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O3S/c18-15(21)14-8-24-9-20(14)17(22)13-6-5-12(11-3-4-11)16(19-13)23-7-10-1-2-10/h5-6,10-11,14H,1-4,7-9H2,(H2,18,21)/t14-/m0/s1.
What are the key properties of (4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 90215320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).