N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C22H27N3O2 — CID 89134359

About N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 89134359) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 89134359
• Molecular Formula: C22H27N3O2
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.21
• IUPAC Name: N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: C=C1C=Cc2cc(C(=O)N(C)C(C)C)[nH]c2N1c1ccc(OC(C)C)cc1
• InChI: InChI=1S/C22H27N3O2/c1-14(2)24(6)22(26)20-13-17-8-7-16(5)25(21(17)23-20)18-9-11-19(12-10-18)27-15(3)4/h7-15,23H,5H2,1-4,6H3
• InChIKey: SPWSSTFRBFWLHL-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 48.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 89134359) is N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)N(C)C(C)C)[nH]c2N1c1ccc(OC(C)C)cc1.

What is the InChIKey of N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is SPWSSTFRBFWLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-14(2)24(6)22(26)20-13-17-8-7-16(5)25(21(17)23-20)18-9-11-19(12-10-18)27-15(3)4/h7-15,23H,5H2,1-4,6H3.

What are the key properties of N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 89134359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).