(5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C19H22N4O2S — CID 97491818

IUPAC(5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1ccc(CN2CC[C@@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)s1
InChIInChI=1S/C19H22N4O2S/c1-13-5-6-15(26-13)11-23-9-7-19(12-23)10-17(22-25-19)18(24)21-16-4-3-8-20-14(16)2/h3-6,8H,7,9-12H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyGQSATYKJMWYLGA-LJQANCHMSA-N
MW370.48 g/mol
LogP3.12
Rot. Bonds4

About (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491818) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491818
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1ccc(CN2CC[C@@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)s1
InChIInChI=1S/C19H22N4O2S/c1-13-5-6-15(26-13)11-23-9-7-19(12-23)10-17(22-25-19)18(24)21-16-4-3-8-20-14(16)2/h3-6,8H,7,9-12H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyGQSATYKJMWYLGA-LJQANCHMSA-N
XLogP3.12
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491818) is (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1ccc(CN2CC[C@@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)s1.
What is the InChIKey of (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is GQSATYKJMWYLGA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-5-6-15(26-13)11-23-9-7-19(12-23)10-17(22-25-19)18(24)21-16-4-3-8-20-14(16)2/h3-6,8H,7,9-12H2,1-2H3,(H,21,24)/t19-/m1/s1.
What are the key properties of (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).