N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide

C27H28N4O3S — CID 42167056

IUPACN-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2
InChIInChI=1S/C27H28N4O3S/c1-18-24(15-29-25(32)12-19-8-11-35-17-19)23-7-10-30(16-21(23)14-28-18)27(34)20-4-2-5-22(13-20)31-9-3-6-26(31)33/h2,4-5,8,11,13-14,17H,3,6-7,9-10,12,15-16H2,1H3,(H,29,32)
InChIKeyBFWZWSHFBMIOCX-UHFFFAOYSA-N
MW488.61 g/mol
LogP3.64
Rot. Bonds6

About N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide

N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 42167056) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID42167056
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2
InChIInChI=1S/C27H28N4O3S/c1-18-24(15-29-25(32)12-19-8-11-35-17-19)23-7-10-30(16-21(23)14-28-18)27(34)20-4-2-5-22(13-20)31-9-3-6-26(31)33/h2,4-5,8,11,13-14,17H,3,6-7,9-10,12,15-16H2,1H3,(H,29,32)
InChIKeyBFWZWSHFBMIOCX-UHFFFAOYSA-N
XLogP3.64
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 42407925
N-[[7-[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 42484073
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 56895753
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[[3-methyl-7-[3-(pyrazol-1-ylmethyl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 74497078
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 3244167
N-(5-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51250769
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
N-[2-(4-methylphenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9425252
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide (CID 42167056) is N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide is Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2.
What is the InChIKey of N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is BFWZWSHFBMIOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-18-24(15-29-25(32)12-19-8-11-35-17-19)23-7-10-30(16-21(23)14-28-18)27(34)20-4-2-5-22(13-20)31-9-3-6-26(31)33/h2,4-5,8,11,13-14,17H,3,6-7,9-10,12,15-16H2,1H3,(H,29,32).
What are the key properties of N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 488.61 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 42167056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).