5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide

C23H29N3O — CID 10021636

IUPAC5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide
SMILESCCCCc1nc2ccccc2c2ccnc(C(=O)N(C(C)C)C(C)C)c12
InChIInChI=1S/C23H29N3O/c1-6-7-11-20-21-18(17-10-8-9-12-19(17)25-20)13-14-24-22(21)23(27)26(15(2)3)16(4)5/h8-10,12-16H,6-7,11H2,1-5H3
InChIKeyVDSCQGMRUOHHPC-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.38
Rot. Bonds6

About 5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide

5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide (PubChem CID 10021636) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide.

Molecular Properties

Compound Name5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide
PubChem CID10021636
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide
SMILESCCCCc1nc2ccccc2c2ccnc(C(=O)N(C(C)C)C(C)C)c12
InChIInChI=1S/C23H29N3O/c1-6-7-11-20-21-18(17-10-8-9-12-19(17)25-20)13-14-24-22(21)23(27)26(15(2)3)16(4)5/h8-10,12-16H,6-7,11H2,1-5H3
InChIKeyVDSCQGMRUOHHPC-UHFFFAOYSA-N
XLogP5.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide?
The IUPAC name of 5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide (CID 10021636) is 5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide.
What is the SMILES notation for 5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide?
The canonical SMILES for 5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide is CCCCc1nc2ccccc2c2ccnc(C(=O)N(C(C)C)C(C)C)c12.
What is the InChIKey of 5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide?
The InChIKey is VDSCQGMRUOHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-6-7-11-20-21-18(17-10-8-9-12-19(17)25-20)13-14-24-22(21)23(27)26(15(2)3)16(4)5/h8-10,12-16H,6-7,11H2,1-5H3.
What are the key properties of 5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide?
5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N,N-di(propan-2-yl)benzo[f][2,7]naphthyridine-4-carboxamide is sourced from PubChem (CID 10021636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).