2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid

C18H22N2O4S — CID 90202405

IUPAC2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)CSC1
InChIInChI=1S/C18H22N2O4S/c21-15(22)7-18(9-25-10-18)20-16(23)14-6-5-13(12-3-4-12)17(19-14)24-8-11-1-2-11/h5-6,11-12H,1-4,7-10H2,(H,20,23)(H,21,22)
InChIKeyFXOJEOYULIAPMD-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.44
Rot. Bonds8

About 2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid

2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid (PubChem CID 90202405) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid
PubChem CID90202405
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)CSC1
InChIInChI=1S/C18H22N2O4S/c21-15(22)7-18(9-25-10-18)20-16(23)14-6-5-13(12-3-4-12)17(19-14)24-8-11-1-2-11/h5-6,11-12H,1-4,7-10H2,(H,20,23)(H,21,22)
InChIKeyFXOJEOYULIAPMD-UHFFFAOYSA-N
XLogP2.44
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid with MolForge

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Related Compounds

tert-butyl formate;methyl 2-[4-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]piperidin-4-yl]acetate
CID 174749992
ethyl 2-[3-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]thietan-3-yl]acetate
CID 123311641
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 71087224
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 71087216
methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
CID 71087544
5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
CID 148777129
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]pyridine-2-carboxamide
CID 71105647
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 71087382
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
CID 71087876
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 71105657
(4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 90215320
(1R)-1-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2,2-dimethyl-N-(methylamino)propan-1-amine oxide
CID 163728943

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid?
The IUPAC name of 2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid (CID 90202405) is 2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid?
The canonical SMILES for 2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid is O=C(O)CC1(NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)CSC1.
What is the InChIKey of 2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid?
The InChIKey is FXOJEOYULIAPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c21-15(22)7-18(9-25-10-18)20-16(23)14-6-5-13(12-3-4-12)17(19-14)24-8-11-1-2-11/h5-6,11-12H,1-4,7-10H2,(H,20,23)(H,21,22).
What are the key properties of 2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid?
2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid has a molecular weight of 362.45 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid is sourced from PubChem (CID 90202405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).