N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide

C24H26N4O3 — CID 53087029

IUPACN-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
SMILESCc1ccc2c(=O)c(C(=O)N3CCCCC3)cn(CC(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C24H26N4O3/c1-17-10-11-19-22(30)20(24(31)27-12-6-3-7-13-27)15-28(23(19)26-17)16-21(29)25-14-18-8-4-2-5-9-18/h2,4-5,8-11,15H,3,6-7,12-14,16H2,1H3,(H,25,29)
InChIKeyJMQPYRPOIZBCLO-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.65
Rot. Bonds5

About N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide

N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide (PubChem CID 53087029) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
PubChem CID53087029
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
SMILESCc1ccc2c(=O)c(C(=O)N3CCCCC3)cn(CC(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C24H26N4O3/c1-17-10-11-19-22(30)20(24(31)27-12-6-3-7-13-27)15-28(23(19)26-17)16-21(29)25-14-18-8-4-2-5-9-18/h2,4-5,8-11,15H,3,6-7,12-14,16H2,1H3,(H,25,29)
InChIKeyJMQPYRPOIZBCLO-UHFFFAOYSA-N
XLogP2.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide (CID 53087029) is N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide is Cc1ccc2c(=O)c(C(=O)N3CCCCC3)cn(CC(=O)NCc3ccccc3)c2n1.
What is the InChIKey of N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide?
The InChIKey is JMQPYRPOIZBCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-10-11-19-22(30)20(24(31)27-12-6-3-7-13-27)15-28(23(19)26-17)16-21(29)25-14-18-8-4-2-5-9-18/h2,4-5,8-11,15H,3,6-7,12-14,16H2,1H3,(H,25,29).
What are the key properties of N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide?
N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 53087029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).