N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

C24H28N4O2 — CID 42434983

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1
InChIInChI=1S/C24H28N4O2/c1-27(16-19-15-25-28(2)17-19)23(30)10-12-24(11-9-22(29)26-24)14-18-7-8-20-5-3-4-6-21(20)13-18/h3-8,13,15,17H,9-12,14,16H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyDPCRTFLRFDPDEP-DEOSSOPVSA-N
MW404.51 g/mol
LogP3.20
Rot. Bonds7

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 42434983) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
PubChem CID42434983
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1
InChIInChI=1S/C24H28N4O2/c1-27(16-19-15-25-28(2)17-19)23(30)10-12-24(11-9-22(29)26-24)14-18-7-8-20-5-3-4-6-21(20)13-18/h3-8,13,15,17H,9-12,14,16H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyDPCRTFLRFDPDEP-DEOSSOPVSA-N
XLogP3.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 126463504
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45224221
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 45168528
(5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 42539619
3-[2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 45179174
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45195292
N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 42471156
methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate
CID 26281257
3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 125161883
N-methyl-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinoxalin-6-ylmethyl)propanamide
CID 45208504
N-[(4-ethylphenyl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 42163266
N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45179274

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (CID 42434983) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is CN(Cc1cnn(C)c1)C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is DPCRTFLRFDPDEP-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-27(16-19-15-25-28(2)17-19)23(30)10-12-24(11-9-22(29)26-24)14-18-7-8-20-5-3-4-6-21(20)13-18/h3-8,13,15,17H,9-12,14,16H2,1-2H3,(H,26,29)/t24-/m0/s1.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 42434983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).