6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide

C19H22N2O3 — CID 91777956

IUPAC6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCC2CCN(c3ccccc3C)C2)o1
InChIInChI=1S/C19H22N2O3/c1-13-5-3-4-6-17(13)21-8-7-15(12-21)11-20-19(23)18-10-16(22)9-14(2)24-18/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyVRKXVYMJRBYLHO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds4

About 6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide

6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide (PubChem CID 91777956) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
PubChem CID91777956
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCC2CCN(c3ccccc3C)C2)o1
InChIInChI=1S/C19H22N2O3/c1-13-5-3-4-6-17(13)21-8-7-15(12-21)11-20-19(23)18-10-16(22)9-14(2)24-18/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyVRKXVYMJRBYLHO-UHFFFAOYSA-N
XLogP2.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[[(3S)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160463
N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide
CID 131890040
2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 125174267
4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 118778689
N-[[(3R)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 97124788
6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160476
7-methyl-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 124852243
N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 125168380
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
5-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645819
N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52508647
3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002587

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide (CID 91777956) is 6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NCC2CCN(c3ccccc3C)C2)o1.
What is the InChIKey of 6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
The InChIKey is VRKXVYMJRBYLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-5-3-4-6-17(13)21-8-7-15(12-21)11-20-19(23)18-10-16(22)9-14(2)24-18/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,20,23).
What are the key properties of 6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide?
6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91777956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).