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

C25H27N3O2 — CID 45219444

IUPACN-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCc1cccnc1CNC(=O)CCC1(Cc2cccc3ccccc23)CCC(=O)N1
InChIInChI=1S/C25H27N3O2/c1-18-6-5-15-26-22(18)17-27-23(29)11-13-25(14-12-24(30)28-25)16-20-9-4-8-19-7-2-3-10-21(19)20/h2-10,15H,11-14,16-17H2,1H3,(H,27,29)(H,28,30)
InChIKeySMHITAOCXKZXRZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.83
Rot. Bonds7

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

N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 45219444) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
PubChem CID45219444
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESCc1cccnc1CNC(=O)CCC1(Cc2cccc3ccccc23)CCC(=O)N1
InChIInChI=1S/C25H27N3O2/c1-18-6-5-15-26-22(18)17-27-23(29)11-13-25(14-12-24(30)28-25)16-20-9-4-8-19-7-2-3-10-21(19)20/h2-10,15H,11-14,16-17H2,1H3,(H,27,29)(H,28,30)
InChIKeySMHITAOCXKZXRZ-UHFFFAOYSA-N
XLogP3.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26275115
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-[(2R)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42319174
3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinolin-6-ylmethyl)propanamide
CID 45240828
3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26282696
(5S)-5-(naphthalen-1-ylmethyl)-5-[3-oxo-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propyl]pyrrolidin-2-one
CID 42407319
N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45179274
N-[(3S)-1-benzylpiperidin-3-yl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26277274
(5S)-5-[3-[4-[(R)-hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 42172036
(5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 42323302
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42210774
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 45179155

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (CID 45219444) is N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is Cc1cccnc1CNC(=O)CCC1(Cc2cccc3ccccc23)CCC(=O)N1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is SMHITAOCXKZXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-6-5-15-26-22(18)17-27-23(29)11-13-25(14-12-24(30)28-25)16-20-9-4-8-19-7-2-3-10-21(19)20/h2-10,15H,11-14,16-17H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 401.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-3-[2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45219444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).