N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide

C18H26N4O2 — CID 134070752

IUPACN-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESO=C(NC1CC1)N1CCOCC2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C18H26N4O2/c23-17(20-16-3-4-16)22-8-9-24-14-18(13-22)5-7-21(12-18)11-15-2-1-6-19-10-15/h1-2,6,10,16H,3-5,7-9,11-14H2,(H,20,23)
InChIKeySHRMNGRHHGFRIO-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.48
Rot. Bonds3

About N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide

N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide (PubChem CID 134070752) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
PubChem CID134070752
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESO=C(NC1CC1)N1CCOCC2(CCN(Cc3cccnc3)C2)C1
InChIInChI=1S/C18H26N4O2/c23-17(20-16-3-4-16)22-8-9-24-14-18(13-22)5-7-21(12-18)11-15-2-1-6-19-10-15/h1-2,6,10,16H,3-5,7-9,11-14H2,(H,20,23)
InChIKeySHRMNGRHHGFRIO-UHFFFAOYSA-N
XLogP1.48
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide with MolForge

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Related Compounds

(5S)-N-cyclopropyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 97392413
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
10-(oxan-4-yl)-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747233
2-(pyridin-3-ylmethyl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171689920
2-(furan-2-ylmethyl)-10-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171696094
2-(dimethylamino)-1-[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]ethanone;tris(2,2,2-trifluoroacetic acid)
CID 155857561
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 97392828
morpholin-4-yl-[(5R,9R)-2-(pyridin-3-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 124787358
(6R)-11-ethyl-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372880
1-[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-2-thiophen-3-ylethanone
CID 97399423
N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392794
3-ethylsulfonyl-11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155857687

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide (CID 134070752) is N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide is O=C(NC1CC1)N1CCOCC2(CCN(Cc3cccnc3)C2)C1.
What is the InChIKey of N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is SHRMNGRHHGFRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(20-16-3-4-16)22-8-9-24-14-18(13-22)5-7-21(12-18)11-15-2-1-6-19-10-15/h1-2,6,10,16H,3-5,7-9,11-14H2,(H,20,23).
What are the key properties of N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide?
N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 134070752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).