N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide

C19H23N3O2S — CID 97477674

IUPACN-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1)c1ccncc1
InChIInChI=1S/C19H23N3O2S/c23-18(15-3-7-20-8-4-15)21-16-5-10-24-19(12-16)6-9-22(14-19)13-17-2-1-11-25-17/h1-4,7-8,11,16H,5-6,9-10,12-14H2,(H,21,23)/t16-,19+/m0/s1
InChIKeyAIFUIONVFXMPBF-QFBILLFUSA-N
MW357.48 g/mol
LogP2.70
Rot. Bonds4

About N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide

N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide (PubChem CID 97477674) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
PubChem CID97477674
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1)c1ccncc1
InChIInChI=1S/C19H23N3O2S/c23-18(15-3-7-20-8-4-15)21-16-5-10-24-19(12-16)6-9-22(14-19)13-17-2-1-11-25-17/h1-4,7-8,11,16H,5-6,9-10,12-14H2,(H,21,23)/t16-,19+/m0/s1
InChIKeyAIFUIONVFXMPBF-QFBILLFUSA-N
XLogP2.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 97477682
N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97474442
N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97475846
N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476036
N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 124780444
N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124780353
N-[(5R,9S)-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476031
1,1-dimethyl-3-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 133141286
N-[(5S,9R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 124782327
N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 124782328
N-[(5S,9S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124822025
N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 97477542

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide (CID 97477674) is N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide is O=C(N[C@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1)c1ccncc1.
What is the InChIKey of N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
The InChIKey is AIFUIONVFXMPBF-QFBILLFUSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-18(15-3-7-20-8-4-15)21-16-5-10-24-19(12-16)6-9-22(14-19)13-17-2-1-11-25-17/h1-4,7-8,11,16H,5-6,9-10,12-14H2,(H,21,23)/t16-,19+/m0/s1.
What are the key properties of N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97477674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).