1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide

C25H25N5O2 — CID 58168114

IUPAC1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)CC1
InChIInChI=1S/C25H25N5O2/c1-30-14-11-16(12-15-30)24(31)28-18-8-6-17(7-9-18)27-21-10-13-26-23-22(21)19-4-2-3-5-20(19)25(32)29-23/h2-10,13,16H,11-12,14-15H2,1H3,(H,28,31)(H2,26,27,29,32)
InChIKeyQEBFUABBIKEGJS-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.10
Rot. Bonds4

About 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide

1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide (PubChem CID 58168114) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide
PubChem CID58168114
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)CC1
InChIInChI=1S/C25H25N5O2/c1-30-14-11-16(12-15-30)24(31)28-18-8-6-17(7-9-18)27-21-10-13-26-23-22(21)19-4-2-3-5-20(19)25(32)29-23/h2-10,13,16H,11-12,14-15H2,1H3,(H,28,31)(H2,26,27,29,32)
InChIKeyQEBFUABBIKEGJS-UHFFFAOYSA-N
XLogP4.10
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[4-(2-cyclopropyl-2-oxoethyl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168195
1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168277
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-methyl-2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 58168217
1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide
CID 135751825
1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one
CID 141243236
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
1-(2-oxo-1H-quinoline-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 71893089
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
N-[4-[1-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 136580210
N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970623

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide (CID 58168114) is 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)CC1.
What is the InChIKey of 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide?
The InChIKey is QEBFUABBIKEGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-30-14-11-16(12-15-30)24(31)28-18-8-6-17(7-9-18)27-21-10-13-26-23-22(21)19-4-2-3-5-20(19)25(32)29-23/h2-10,13,16H,11-12,14-15H2,1H3,(H,28,31)(H2,26,27,29,32).
What are the key properties of 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide?
1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 58168114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).