N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide

C28H32N4O2 — CID 77254056

About N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide

N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide (PubChem CID 77254056) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide.

Molecular Properties

• Compound Name: N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide
• PubChem CID: 77254056
• Molecular Formula: C28H32N4O2
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.25
• IUPAC Name: N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide
• SMILES: Cc1cn(C)c2cccc(C(=O)N(C)C(CCNC(=O)c3cccn3C)Cc3ccccc3)c12
• InChI: InChI=1S/C28H32N4O2/c1-20-19-31(3)24-13-8-12-23(26(20)24)28(34)32(4)22(18-21-10-6-5-7-11-21)15-16-29-27(33)25-14-9-17-30(25)2/h5-14,17,19,22H,15-16,18H2,1-4H3,(H,29,33)
• InChIKey: MKHPAQQCOGLBQI-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 59.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide?

The IUPAC name of N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide (CID 77254056) is N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide.

What is the SMILES notation for N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide?

The canonical SMILES for N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide is Cc1cn(C)c2cccc(C(=O)N(C)C(CCNC(=O)c3cccn3C)Cc3ccccc3)c12.

What is the InChIKey of N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide?

The InChIKey is MKHPAQQCOGLBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-20-19-31(3)24-13-8-12-23(26(20)24)28(34)32(4)22(18-21-10-6-5-7-11-21)15-16-29-27(33)25-14-9-17-30(25)2/h5-14,17,19,22H,15-16,18H2,1-4H3,(H,29,33).

What are the key properties of N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide?

N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide is sourced from PubChem (CID 77254056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).