1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide

C20H23N3O5 — CID 172669805

IUPAC1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)NCCC1CNCCO1
InChIInChI=1S/C20H23N3O5/c1-13-5-8-23(14-2-3-16-17(10-14)28-12-27-16)20(25)18(13)19(24)22-6-4-15-11-21-7-9-26-15/h2-3,5,8,10,15,21H,4,6-7,9,11-12H2,1H3,(H,22,24)
InChIKeyYFRXNEMHKANEKC-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.98
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide (PubChem CID 172669805) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide
PubChem CID172669805
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)NCCC1CNCCO1
InChIInChI=1S/C20H23N3O5/c1-13-5-8-23(14-2-3-16-17(10-14)28-12-27-16)20(25)18(13)19(24)22-6-4-15-11-21-7-9-26-15/h2-3,5,8,10,15,21H,4,6-7,9,11-12H2,1H3,(H,22,24)
InChIKeyYFRXNEMHKANEKC-UHFFFAOYSA-N
XLogP0.98
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172664338
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-2-oxo-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 172665353
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
1-(4-fluorophenyl)-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172672595
6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine
CID 115239132
methyl (2S,3S)-2-[[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate
CID 172667595
1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide
CID 172661264
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
4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170511858

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide (CID 172669805) is 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide is Cc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)NCCC1CNCCO1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide?
The InChIKey is YFRXNEMHKANEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-13-5-8-23(14-2-3-16-17(10-14)28-12-27-16)20(25)18(13)19(24)22-6-4-15-11-21-7-9-26-15/h2-3,5,8,10,15,21H,4,6-7,9,11-12H2,1H3,(H,22,24).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 0.98, 5 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-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172669805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).