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

C18H16F2N2O4 — CID 172664338

IUPAC1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C18H16F2N2O4/c1-10-4-5-22(12-2-3-13-14(6-12)26-9-25-13)17(24)15(10)16(23)21-11-7-18(19,20)8-11/h2-6,11H,7-9H2,1H3,(H,21,23)
InChIKeyXINQZQZDTDVVIG-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.40
Rot. Bonds3

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

1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172664338) has the molecular formula C18H16F2N2O4 and a molecular weight of 362.33 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172664338
Molecular FormulaC18H16F2N2O4
Molecular Weight362.33 g/mol
Exact Mass362.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C18H16F2N2O4/c1-10-4-5-22(12-2-3-13-14(6-12)26-9-25-13)17(24)15(10)16(23)21-11-7-18(19,20)8-11/h2-6,11H,7-9H2,1H3,(H,21,23)
InChIKeyXINQZQZDTDVVIG-UHFFFAOYSA-N
XLogP2.40
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)-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-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxamide
CID 172670662
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
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-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide
CID 172669805
4-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 172665514
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
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
1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one
CID 172668299
N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172665102

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide (CID 172664338) is 1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide is Cc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)NC1CC(F)(F)C1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is XINQZQZDTDVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4/c1-10-4-5-22(12-2-3-13-14(6-12)26-9-25-13)17(24)15(10)16(23)21-11-7-18(19,20)8-11/h2-6,11H,7-9H2,1H3,(H,21,23).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 362.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172664338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).