2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline

C68H67ClN10O2 — CID 157149307

About 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline

2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline (PubChem CID 157149307) has the molecular formula C68H67ClN10O2 and a molecular weight of 1091.80 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline.

Molecular Properties

• Compound Name: 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline
• PubChem CID: 157149307
• Molecular Formula: C68H67ClN10O2
• Molecular Weight: 1091.80 g/mol
• Exact Mass: 1090.51
• IUPAC Name: 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline
• SMILES: Cc1cc(N)cc(Oc2ccc3c4ccccc4n(-c4cc(C)ccn4)c3c2)c1.Cc1cc(Nc2nc(C)ccc2NC(C)C)cc(Oc2ccc3c4ccccc4n(-c4cc(C)ccn4)c3c2)c1.Cc1ccc(NC(C)C)c(Cl)n1
• InChI: InChI=1S/C34H33N5O.C25H21N3O.C9H13ClN2/c1-21(2)36-30-13-10-24(5)37-34(30)38-25-16-23(4)17-27(19-25)40-26-11-12-29-28-8-6-7-9-31(28)39(32(29)20-26)33-18-22(3)14-15-35-33;1-16-9-10-27-25(13-16)28-23-6-4-3-5-21(23)22-8-7-19(15-24(22)28)29-20-12-17(2)11-18(26)14-20;1-6(2)11-8-5-4-7(3)12-9(8)10/h6-21,36H,1-5H3,(H,37,38);3-15H,26H2,1-2H3;4-6,11H,1-3H3
• InChIKey: ALBNJJXTVDRKQW-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 141.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1091.80
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline?

The IUPAC name of 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline (CID 157149307) is 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline.

What is the SMILES notation for 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline?

The canonical SMILES for 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline is Cc1cc(N)cc(Oc2ccc3c4ccccc4n(-c4cc(C)ccn4)c3c2)c1.Cc1cc(Nc2nc(C)ccc2NC(C)C)cc(Oc2ccc3c4ccccc4n(-c4cc(C)ccn4)c3c2)c1.Cc1ccc(NC(C)C)c(Cl)n1.

What is the InChIKey of 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline?

The InChIKey is ALBNJJXTVDRKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5O.C25H21N3O.C9H13ClN2/c1-21(2)36-30-13-10-24(5)37-34(30)38-25-16-23(4)17-27(19-25)40-26-11-12-29-28-8-6-7-9-31(28)39(32(29)20-26)33-18-22(3)14-15-35-33;1-16-9-10-27-25(13-16)28-23-6-4-3-5-21(23)22-8-7-19(15-24(22)28)29-20-12-17(2)11-18(26)14-20;1-6(2)11-8-5-4-7(3)12-9(8)10/h6-21,36H,1-5H3,(H,37,38);3-15H,26H2,1-2H3;4-6,11H,1-3H3.

What are the key properties of 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline?

2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline has a molecular weight of 1091.80 g/mol, XLogP of 17.89, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methyl-N-propan-2-ylpyridin-3-amine;6-methyl-2-N-[3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-N-propan-2-ylpyridine-2,3-diamine;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline is sourced from PubChem (CID 157149307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).