N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide

C18H25N5O2 — CID 97399609

IUPACN-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESO=C(NCc1cccnc1)N1CCC2(CC1)CC(N1CCCC1)=NO2
InChIInChI=1S/C18H25N5O2/c24-17(20-14-15-4-3-7-19-13-15)23-10-5-18(6-11-23)12-16(21-25-18)22-8-1-2-9-22/h3-4,7,13H,1-2,5-6,8-12,14H2,(H,20,24)
InChIKeyDTTPMKPYJRCIAY-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.96
Rot. Bonds2

About N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide

N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 97399609) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
PubChem CID97399609
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESO=C(NCc1cccnc1)N1CCC2(CC1)CC(N1CCCC1)=NO2
InChIInChI=1S/C18H25N5O2/c24-17(20-14-15-4-3-7-19-13-15)23-10-5-18(6-11-23)12-16(21-25-18)22-8-1-2-9-22/h3-4,7,13H,1-2,5-6,8-12,14H2,(H,20,24)
InChIKeyDTTPMKPYJRCIAY-UHFFFAOYSA-N
XLogP1.96
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-9-N-benzyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490871
(2R,3S)-N-(pyridin-3-ylmethyl)-2-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 97396668
(3S)-3-[methyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97487726
7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131640383
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
3-(dimethylcarbamoylamino)-N-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 131662056
(5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491560
N-(pyridin-3-ylmethyl)-2-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155860227
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
2-(azepan-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506694
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (CID 97399609) is N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is O=C(NCc1cccnc1)N1CCC2(CC1)CC(N1CCCC1)=NO2.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The InChIKey is DTTPMKPYJRCIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-17(20-14-15-4-3-7-19-13-15)23-10-5-18(6-11-23)12-16(21-25-18)22-8-1-2-9-22/h3-4,7,13H,1-2,5-6,8-12,14H2,(H,20,24).
What are the key properties of N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 97399609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).