(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C16H22N4O2 — CID 97486079

IUPAC(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NC1CC1)N1CC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1
InChIInChI=1S/C16H22N4O2/c21-15(19-12-4-5-12)20-8-6-16(11-20)9-13(10-22-16)18-14-3-1-2-7-17-14/h1-3,7,12-13H,4-6,8-11H2,(H,17,18)(H,19,21)/t13-,16+/m0/s1
InChIKeyKXSBFXDTVSURNO-XJKSGUPXSA-N
MW302.38 g/mol
LogP1.60
Rot. Bonds3

About (3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 97486079) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID97486079
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NC1CC1)N1CC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1
InChIInChI=1S/C16H22N4O2/c21-15(19-12-4-5-12)20-8-6-16(11-20)9-13(10-22-16)18-14-3-1-2-7-17-14/h1-3,7,12-13H,4-6,8-11H2,(H,17,18)(H,19,21)/t13-,16+/m0/s1
InChIKeyKXSBFXDTVSURNO-XJKSGUPXSA-N
XLogP1.60
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 131639657
2-(dimethylamino)-1-[3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 134076712
(1-fluorocyclobutyl)-[3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 131686187
(3R,5R)-7-cyclopropylsulfonyl-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394531
phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 124803332
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131689946
(3,3-difluorocyclobutyl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131690340
(5-methylpyrazin-2-yl)-[(3R,5R)-3-(pyridin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97489283
(3R,5R)-N-cyclopropyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97485695
(2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477782
[(3S,5R)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97371127
3-methylsulfonyl-1-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 131690057

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 97486079) is (3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(NC1CC1)N1CC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1.
What is the InChIKey of (3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is KXSBFXDTVSURNO-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(19-12-4-5-12)20-8-6-16(11-20)9-13(10-22-16)18-14-3-1-2-7-17-14/h1-3,7,12-13H,4-6,8-11H2,(H,17,18)(H,19,21)/t13-,16+/m0/s1.
What are the key properties of (3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 97486079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).