N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine

C67H64ClF3N12 — CID 173319771

About N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine

N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine (PubChem CID 173319771) has the molecular formula C67H64ClF3N12 and a molecular weight of 1129.78 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine.

Molecular Properties

• Compound Name: N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine
• PubChem CID: 173319771
• Molecular Formula: C67H64ClF3N12
• Molecular Weight: 1129.78 g/mol
• Exact Mass: 1128.50
• IUPAC Name: N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine
• SMILES: C#CCN(c1ccncc1F)n1cc(C)c2ccccc21.C=CCN(c1ccncc1F)n1ccc2ccccc21.CCCN(c1ccncc1Cl)n1cc(C)c2ccccc21.CCCN(c1ccncc1F)n1c(C)cc2ccccc21
• InChI: InChI=1S/C17H18ClN3.C17H14FN3.C17H18FN3.C16H14FN3/c2*1-3-10-20(17-8-9-19-11-15(17)18)21-12-13(2)14-6-4-5-7-16(14)21;1-3-10-20(17-8-9-19-12-15(17)18)21-13(2)11-14-6-4-5-7-16(14)21;1-2-10-19(16-7-9-18-12-14(16)17)20-11-8-13-5-3-4-6-15(13)20/h4-9,11-12H,3,10H2,1-2H3;1,4-9,11-12H,10H2,2H3;4-9,11-12H,3,10H2,1-2H3;2-9,11-12H,1,10H2
• InChIKey: PFNCTDVYMNXKSQ-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 84.24 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1129.78
LogP ≤ 5	15.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine?

The IUPAC name of N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine (CID 173319771) is N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine.

What is the SMILES notation for N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine?

The canonical SMILES for N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine is C#CCN(c1ccncc1F)n1cc(C)c2ccccc21.C=CCN(c1ccncc1F)n1ccc2ccccc21.CCCN(c1ccncc1Cl)n1cc(C)c2ccccc21.CCCN(c1ccncc1F)n1c(C)cc2ccccc21.

What is the InChIKey of N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine?

The InChIKey is PFNCTDVYMNXKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3.C17H14FN3.C17H18FN3.C16H14FN3/c2*1-3-10-20(17-8-9-19-11-15(17)18)21-12-13(2)14-6-4-5-7-16(14)21;1-3-10-20(17-8-9-19-12-15(17)18)21-13(2)11-14-6-4-5-7-16(14)21;1-2-10-19(16-7-9-18-12-14(16)17)20-11-8-13-5-3-4-6-15(13)20/h4-9,11-12H,3,10H2,1-2H3;1,4-9,11-12H,10H2,2H3;4-9,11-12H,3,10H2,1-2H3;2-9,11-12H,1,10H2.

What are the key properties of N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine?

N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine has a molecular weight of 1129.78 g/mol, XLogP of 15.86, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-2-methyl-N-propylindol-1-amine;N-(3-fluoro-4-pyridinyl)-3-methyl-N-prop-2-ynylindol-1-amine;N-(3-fluoro-4-pyridinyl)-N-prop-2-enylindol-1-amine is sourced from PubChem (CID 173319771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).