2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride

C109H171Cl3N22O12 — CID 157068497

About 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride

2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride (PubChem CID 157068497) has the molecular formula C109H171Cl3N22O12 and a molecular weight of 2088.07 g/mol. Its IUPAC name is 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride
• PubChem CID: 157068497
• Molecular Formula: C109H171Cl3N22O12
• Molecular Weight: 2088.07 g/mol
• Exact Mass: 2085.25
• IUPAC Name: 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride
• SMILES: C.CCCCC(C)=O.CCCCc1ccc2c(n1)NCCC2.CCCCc1ccc2cccnc2n1.CCCCc1ccc2cccnc2n1.CCCN.CCCNC(=O)CC.CCCNC(=O)CN.CCCNC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2.Cl.Cl.Cl.Nc1ncccc1C=O.O=C(O)CCCc1ccc2c(n1)NCCC2.O=C(O)CCNC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C17H24N4O4.C17H26N4O2.C12H16N2O2.C12H18N2.2C12H14N2.C6H6N2O.C6H13NO.C6H12O.C5H12N2O.C3H9N.CH4.3ClH/c22-14(20-11-15(23)18-10-8-16(24)25)5-1-4-13-7-6-12-3-2-9-19-17(12)21-13;1-2-10-18-16(23)12-20-15(22)7-3-6-14-9-8-13-5-4-11-19-17(13)21-14;15-11(16)5-1-4-10-7-6-9-3-2-8-13-12(9)14-10;3*1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;7-6-5(4-9)2-1-3-8-6;1-3-5-7-6(8)4-2;1-3-4-5-6(2)7;1-2-3-7-5(8)4-6;1-2-3-4;;;;/h6-7H,1-5,8-11H2,(H,18,23)(H,19,21)(H,20,22)(H,24,25);8-9H,2-7,10-12H2,1H3,(H,18,23)(H,19,21)(H,20,22);6-7H,1-5,8H2,(H,13,14)(H,15,16);7-8H,2-6,9H2,1H3,(H,13,14);2*4-5,7-9H,2-3,6H2,1H3;1-4H,(H2,7,8);3-5H2,1-2H3,(H,7,8);3-5H2,1-2H3;2-4,6H2,1H3,(H,7,8);2-4H2,1H3;1H4;3*1H
• InChIKey: JBRQXBANEYMFGY-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 525.53 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 26
• Rotatable Bonds: 41
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.07
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride?

The IUPAC name of 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride (CID 157068497) is 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride.

What is the SMILES notation for 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride?

The canonical SMILES for 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride is C.CCCCC(C)=O.CCCCc1ccc2c(n1)NCCC2.CCCCc1ccc2cccnc2n1.CCCCc1ccc2cccnc2n1.CCCN.CCCNC(=O)CC.CCCNC(=O)CN.CCCNC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2.Cl.Cl.Cl.Nc1ncccc1C=O.O=C(O)CCCc1ccc2c(n1)NCCC2.O=C(O)CCNC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2.

What is the InChIKey of 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride?

The InChIKey is JBRQXBANEYMFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4.C17H26N4O2.C12H16N2O2.C12H18N2.2C12H14N2.C6H6N2O.C6H13NO.C6H12O.C5H12N2O.C3H9N.CH4.3ClH/c22-14(20-11-15(23)18-10-8-16(24)25)5-1-4-13-7-6-12-3-2-9-19-17(12)21-13;1-2-10-18-16(23)12-20-15(22)7-3-6-14-9-8-13-5-4-11-19-17(13)21-14;15-11(16)5-1-4-10-7-6-9-3-2-8-13-12(9)14-10;3*1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;7-6-5(4-9)2-1-3-8-6;1-3-5-7-6(8)4-2;1-3-4-5-6(2)7;1-2-3-7-5(8)4-6;1-2-3-4;;;;/h6-7H,1-5,8-11H2,(H,18,23)(H,19,21)(H,20,22)(H,24,25);8-9H,2-7,10-12H2,1H3,(H,18,23)(H,19,21)(H,20,22);6-7H,1-5,8H2,(H,13,14)(H,15,16);7-8H,2-6,9H2,1H3,(H,13,14);2*4-5,7-9H,2-3,6H2,1H3;1-4H,(H2,7,8);3-5H2,1-2H3,(H,7,8);3-5H2,1-2H3;2-4,6H2,1H3,(H,7,8);2-4H2,1H3;1H4;3*1H.

What are the key properties of 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride?

2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride has a molecular weight of 2088.07 g/mol, XLogP of 17.34, 41 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride is sourced from PubChem (CID 157068497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).