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

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CID 797382
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CID 1860395
CID 1860395
CID 149449
CID 149449
CID 128904
CID 128904
CID 4298023
CID 4298023
CID 4375060
CID 4375060
CID 11214849
CID 11214849
CID 44450347
CID 44450347
CID 9801260
CID 9801260

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).