N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide

C26H27N5O2 — CID 58168217

IUPACN-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide
SMILESCN(C(=O)CN1CCC(Nc2ccnc3[nH]c(=O)c4ccccc4c23)CC1)c1ccccc1
InChIInChI=1S/C26H27N5O2/c1-30(19-7-3-2-4-8-19)23(32)17-31-15-12-18(13-16-31)28-22-11-14-27-25-24(22)20-9-5-6-10-21(20)26(33)29-25/h2-11,14,18H,12-13,15-17H2,1H3,(H2,27,28,29,33)
InChIKeyYEHNVEASBLQZMA-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.62
Rot. Bonds5

About N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide

N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide (PubChem CID 58168217) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide
PubChem CID58168217
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide
SMILESCN(C(=O)CN1CCC(Nc2ccnc3[nH]c(=O)c4ccccc4c23)CC1)c1ccccc1
InChIInChI=1S/C26H27N5O2/c1-30(19-7-3-2-4-8-19)23(32)17-31-15-12-18(13-16-31)28-22-11-14-27-25-24(22)20-9-5-6-10-21(20)26(33)29-25/h2-11,14,18H,12-13,15-17H2,1H3,(H2,27,28,29,33)
InChIKeyYEHNVEASBLQZMA-UHFFFAOYSA-N
XLogP3.62
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide (CID 58168217) is N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide is CN(C(=O)CN1CCC(Nc2ccnc3[nH]c(=O)c4ccccc4c23)CC1)c1ccccc1.
What is the InChIKey of N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is YEHNVEASBLQZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-30(19-7-3-2-4-8-19)23(32)17-31-15-12-18(13-16-31)28-22-11-14-27-25-24(22)20-9-5-6-10-21(20)26(33)29-25/h2-11,14,18H,12-13,15-17H2,1H3,(H2,27,28,29,33).
What are the key properties of N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide?
N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 441.54 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 58168217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).