N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C26H29N5O2 — CID 156748909

About N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 156748909) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 156748909
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
• SMILES: CCC1(CC)CN(Cc2cc3ccc(CNC(=O)c4cc(=O)n5ccccc5n4)cc3[nH]2)C1
• InChI: InChI=1S/C26H29N5O2/c1-3-26(4-2)16-30(17-26)15-20-12-19-9-8-18(11-21(19)28-20)14-27-25(33)22-13-24(32)31-10-6-5-7-23(31)29-22/h5-13,28H,3-4,14-17H2,1-2H3,(H,27,33)
• InChIKey: YRQRJCPHAJVQAT-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 82.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 156748909) is N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CCC1(CC)CN(Cc2cc3ccc(CNC(=O)c4cc(=O)n5ccccc5n4)cc3[nH]2)C1.

What is the InChIKey of N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is YRQRJCPHAJVQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-3-26(4-2)16-30(17-26)15-20-12-19-9-8-18(11-21(19)28-20)14-27-25(33)22-13-24(32)31-10-6-5-7-23(31)29-22/h5-13,28H,3-4,14-17H2,1-2H3,(H,27,33).

What are the key properties of N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?

N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(3,3-diethylazetidin-1-yl)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 156748909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).