1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride

C23H28ClN3O5 — CID 172910020

IUPAC1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)NC1CCCOC12CCNCC2.Cl
InChIInChI=1S/C23H27N3O5.ClH/c1-15-6-11-26(16-4-5-17-18(13-16)30-14-29-17)22(28)20(15)21(27)25-19-3-2-12-31-23(19)7-9-24-10-8-23;/h4-6,11,13,19,24H,2-3,7-10,12,14H2,1H3,(H,25,27);1H
InChIKeyLYTFFQAUQHSDTL-UHFFFAOYSA-N
MW461.95 g/mol
LogP2.33
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride

1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride (PubChem CID 172910020) has the molecular formula C23H28ClN3O5 and a molecular weight of 461.95 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride
PubChem CID172910020
Molecular FormulaC23H28ClN3O5
Molecular Weight461.95 g/mol
Exact Mass461.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride
SMILESCc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)NC1CCCOC12CCNCC2.Cl
InChIInChI=1S/C23H27N3O5.ClH/c1-15-6-11-26(16-4-5-17-18(13-16)30-14-29-17)22(28)20(15)21(27)25-19-3-2-12-31-23(19)7-9-24-10-8-23;/h4-6,11,13,19,24H,2-3,7-10,12,14H2,1H3,(H,25,27);1H
InChIKeyLYTFFQAUQHSDTL-UHFFFAOYSA-N
XLogP2.33
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172664338
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxamide
CID 172670662
1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172669484
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide
CID 172669805
1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 172665353
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1-(1,3-benzodioxol-5-yl)-4-methylpyridin-2-one
CID 172658823
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(6-methyl-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-2-oxopyridine-3-carboxamide
CID 172672182
1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one
CID 172668299
methyl (2S,3S)-2-[[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate
CID 172667595
4-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 172665514
2-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 172656615
methyl 3-[1-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]piperidin-3-yl]propanoate
CID 172667156

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride (CID 172910020) is 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride is Cc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)NC1CCCOC12CCNCC2.Cl.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride?
The InChIKey is LYTFFQAUQHSDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5.ClH/c1-15-6-11-26(16-4-5-17-18(13-16)30-14-29-17)22(28)20(15)21(27)25-19-3-2-12-31-23(19)7-9-24-10-8-23;/h4-6,11,13,19,24H,2-3,7-10,12,14H2,1H3,(H,25,27);1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride?
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride has a molecular weight of 461.95 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172910020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).