5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide

C19H22N6O2 — CID 171066209

IUPAC5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNCCC(=O)NCCCNc1nc2cc(C(N)=O)ccc2c2cnccc12
InChIInChI=1S/C19H22N6O2/c20-6-4-17(26)23-7-1-8-24-19-14-5-9-22-11-15(14)13-3-2-12(18(21)27)10-16(13)25-19/h2-3,5,9-11H,1,4,6-8,20H2,(H2,21,27)(H,23,26)(H,24,25)
InChIKeyWGRBYXGCEZSGRX-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.15
Rot. Bonds8

About 5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide

5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide (PubChem CID 171066209) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
PubChem CID171066209
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNCCC(=O)NCCCNc1nc2cc(C(N)=O)ccc2c2cnccc12
InChIInChI=1S/C19H22N6O2/c20-6-4-17(26)23-7-1-8-24-19-14-5-9-22-11-15(14)13-3-2-12(18(21)27)10-16(13)25-19/h2-3,5,9-11H,1,4,6-8,20H2,(H2,21,27)(H,23,26)(H,24,25)
InChIKeyWGRBYXGCEZSGRX-UHFFFAOYSA-N
XLogP1.15
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066050
5-[3-[3-[(5-cyclopropyl-2-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066121
5-[[4-[2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]ethylamino]-4-oxobutyl]amino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066189
5-[2-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]butanoylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066369
5-[2-[4-[(5-phenyl-1,3-thiazol-2-yl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066521
methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate
CID 171066233
5-[2-[4-[(5-chloro-6-phenyl-3-pyridinyl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066454
5-[2-[4-[[5-(trifluoromethyl)-1H-indol-2-yl]methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066515
5-[2-[methyl-[4-[(5-phenyl-1,3-thiazol-2-yl)methylamino]butyl]amino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066075
1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone
CID 118175984
5-[2-[[3-[(3-chloro-4-phenylphenyl)methylamino]cyclobutyl]methylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066442
5-[2-[4-[(3-cyano-4-cyclobutyloxyphenyl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066289

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide?
The IUPAC name of 5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide (CID 171066209) is 5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide.
What is the SMILES notation for 5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide?
The canonical SMILES for 5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide is NCCC(=O)NCCCNc1nc2cc(C(N)=O)ccc2c2cnccc12.
What is the InChIKey of 5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide?
The InChIKey is WGRBYXGCEZSGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c20-6-4-17(26)23-7-1-8-24-19-14-5-9-22-11-15(14)13-3-2-12(18(21)27)10-16(13)25-19/h2-3,5,9-11H,1,4,6-8,20H2,(H2,21,27)(H,23,26)(H,24,25).
What are the key properties of 5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide?
5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.15, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide is sourced from PubChem (CID 171066209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).