N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide

C34H44N6O3 — CID 145020845

About N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide

N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide (PubChem CID 145020845) has the molecular formula C34H44N6O3 and a molecular weight of 584.77 g/mol. Its IUPAC name is N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide.

Molecular Properties

• Compound Name: N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide
• PubChem CID: 145020845
• Molecular Formula: C34H44N6O3
• Molecular Weight: 584.77 g/mol
• Exact Mass: 584.35
• IUPAC Name: N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide
• SMILES: CNC=O.COC(C)(C)CN(c1ccnc(NC(=O)c2ccc(C3CCN(C)CC3)cc2)c1)c1ccc2c(ccn2C)c1
• InChI: InChI=1S/C32H39N5O2.C2H5NO/c1-32(2,39-5)22-37(27-10-11-29-26(20-27)15-19-36(29)4)28-12-16-33-30(21-28)34-31(38)25-8-6-23(7-9-25)24-13-17-35(3)18-14-24;1-3-2-4/h6-12,15-16,19-21,24H,13-14,17-18,22H2,1-5H3,(H,33,34,38);2H,1H3,(H,3,4)
• InChIKey: CSKCGEHVIXTGMJ-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 91.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.77
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide?

The IUPAC name of N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide (CID 145020845) is N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide.

What is the SMILES notation for N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide?

The canonical SMILES for N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide is CNC=O.COC(C)(C)CN(c1ccnc(NC(=O)c2ccc(C3CCN(C)CC3)cc2)c1)c1ccc2c(ccn2C)c1.

What is the InChIKey of N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide?

The InChIKey is CSKCGEHVIXTGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O2.C2H5NO/c1-32(2,39-5)22-37(27-10-11-29-26(20-27)15-19-36(29)4)28-12-16-33-30(21-28)34-31(38)25-8-6-23(7-9-25)24-13-17-35(3)18-14-24;1-3-2-4/h6-12,15-16,19-21,24H,13-14,17-18,22H2,1-5H3,(H,33,34,38);2H,1H3,(H,3,4).

What are the key properties of N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide?

N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide has a molecular weight of 584.77 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-methoxy-2-methylpropyl)-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide;N-methylformamide is sourced from PubChem (CID 145020845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).