N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C20H27N5O3 — CID 134075221

IUPACN-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1=NOC2(CCCN(C(=O)N3CCCC3)C2)C1
InChIInChI=1S/C20H27N5O3/c1-23(14-16-7-2-3-9-21-16)18(26)17-13-20(28-22-17)8-6-12-25(15-20)19(27)24-10-4-5-11-24/h2-3,7,9H,4-6,8,10-15H2,1H3
InChIKeyBQVUCOPTUJPBBE-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.87
Rot. Bonds3

About N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 134075221) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID134075221
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1=NOC2(CCCN(C(=O)N3CCCC3)C2)C1
InChIInChI=1S/C20H27N5O3/c1-23(14-16-7-2-3-9-21-16)18(26)17-13-20(28-22-17)8-6-12-25(15-20)19(27)24-10-4-5-11-24/h2-3,7,9H,4-6,8,10-15H2,1H3
InChIKeyBQVUCOPTUJPBBE-UHFFFAOYSA-N
XLogP1.87
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155875708
(5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491661
N-methyl-7-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134072451
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 124818809
9-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131682582
phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
CID 134787749
[1,1-dioxo-2-(pyridin-2-ylmethyl)spiro[3H-5,1λ6,2-benzoxathiazepine-4,3'-pyrrolidine]-1'-yl]-pyrrolidin-1-ylmethanone
CID 131668777
9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691424
1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone
CID 134790728
3-pyridin-2-yl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134789271
3-phenyl-9-(pyridin-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134787877

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 134075221) is N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is CN(Cc1ccccn1)C(=O)C1=NOC2(CCCN(C(=O)N3CCCC3)C2)C1.
What is the InChIKey of N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is BQVUCOPTUJPBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-23(14-16-7-2-3-9-21-16)18(26)17-13-20(28-22-17)8-6-12-25(15-20)19(27)24-10-4-5-11-24/h2-3,7,9H,4-6,8,10-15H2,1H3.
What are the key properties of N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 134075221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).