N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide

C19H21N3O2 — CID 167833073

IUPACN-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide
SMILESO=C(NCc1cccnc1)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C19H21N3O2/c23-18(21-13-15-4-3-9-20-12-15)22-14-19(7-10-24-11-8-19)16-5-1-2-6-17(16)22/h1-6,9,12H,7-8,10-11,13-14H2,(H,21,23)
InChIKeyDFFSENIPAOIRDR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.86
Rot. Bonds2

About N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide

N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide (PubChem CID 167833073) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide
PubChem CID167833073
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide
SMILESO=C(NCc1cccnc1)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C19H21N3O2/c23-18(21-13-15-4-3-9-20-12-15)22-14-19(7-10-24-11-8-19)16-5-1-2-6-17(16)22/h1-6,9,12H,7-8,10-11,13-14H2,(H,21,23)
InChIKeyDFFSENIPAOIRDR-UHFFFAOYSA-N
XLogP2.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea
CID 71164987
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761
N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide
CID 704264
1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 108976826
2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800
1-[4-[1'-(oxolane-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71502967
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64890825
[(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
CID 99829191
4-(2-bromophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108620
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide (CID 167833073) is N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide is O=C(NCc1cccnc1)N1CC2(CCOCC2)c2ccccc21.
What is the InChIKey of N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide?
The InChIKey is DFFSENIPAOIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(21-13-15-4-3-9-20-12-15)22-14-19(7-10-24-11-8-19)16-5-1-2-6-17(16)22/h1-6,9,12H,7-8,10-11,13-14H2,(H,21,23).
What are the key properties of N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide?
N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide is sourced from PubChem (CID 167833073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).