4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide

C25H25N3O — CID 141078622

IUPAC4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(-c2nc3ccncc3c3ccccc23)cc1)C(C)C
InChIInChI=1S/C25H25N3O/c1-16(2)28(17(3)4)25(29)19-11-9-18(10-12-19)24-21-8-6-5-7-20(21)22-15-26-14-13-23(22)27-24/h5-17H,1-4H3
InChIKeyFPTSTWCZENLJDK-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.71
Rot. Bonds4

About 4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide

4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide (PubChem CID 141078622) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide
PubChem CID141078622
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(-c2nc3ccncc3c3ccccc23)cc1)C(C)C
InChIInChI=1S/C25H25N3O/c1-16(2)28(17(3)4)25(29)19-11-9-18(10-12-19)24-21-8-6-5-7-20(21)22-15-26-14-13-23(22)27-24/h5-17H,1-4H3
InChIKeyFPTSTWCZENLJDK-UHFFFAOYSA-N
XLogP5.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7H-Naphtho(1,2,3-ij)(2,7)naphthyridin-7-one
CID 387195
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
15-Pgdh-IN-1
CID 135300446
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
SN 6999
CID 149449
1-Methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium
CID 128904
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
N-[1-(3-Methylbutyl)piperidin-4-Yl]-N-{4-[methyl(Pyridin-4-Yl)amino]benzyl}-4-Pentylbenzamide
CID 11214849
4-hexyl-N-quinolin-3-ylbenzamide
CID 44450347
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide
CID 57392493

Frequently Asked Questions

What is the IUPAC name of 4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide (CID 141078622) is 4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(-c2nc3ccncc3c3ccccc23)cc1)C(C)C.
What is the InChIKey of 4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide?
The InChIKey is FPTSTWCZENLJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-16(2)28(17(3)4)25(29)19-11-9-18(10-12-19)24-21-8-6-5-7-20(21)22-15-26-14-13-23(22)27-24/h5-17H,1-4H3.
What are the key properties of 4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide?
4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide has a molecular weight of 383.50 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[c][1,6]naphthyridin-6-yl-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 141078622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).