N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide

C23H29N5O2 — CID 97261444

About N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide

N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide (PubChem CID 97261444) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide
• PubChem CID: 97261444
• Molecular Formula: C23H29N5O2
• Molecular Weight: 407.52 g/mol
• Exact Mass: 407.23
• IUPAC Name: N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide
• SMILES: CCN(CC)[C@@H](CNC(=O)c1cccc(CNc2nccc(C)n2)c1)c1ccco1
• InChI: InChI=1S/C23H29N5O2/c1-4-28(5-2)20(21-10-7-13-30-21)16-25-22(29)19-9-6-8-18(14-19)15-26-23-24-12-11-17(3)27-23/h6-14,20H,4-5,15-16H2,1-3H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
• InChIKey: HNVODDPTGBLQKZ-FQEVSTJZSA-N
• XLogP: 3.80
• TPSA: 83.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.52
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide?

The IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide (CID 97261444) is N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide.

What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide?

The canonical SMILES for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide is CCN(CC)[C@@H](CNC(=O)c1cccc(CNc2nccc(C)n2)c1)c1ccco1.

What is the InChIKey of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide?

The InChIKey is HNVODDPTGBLQKZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-4-28(5-2)20(21-10-7-13-30-21)16-25-22(29)19-9-6-8-18(14-19)15-26-23-24-12-11-17(3)27-23/h6-14,20H,4-5,15-16H2,1-3H3,(H,25,29)(H,24,26,27)/t20-/m0/s1.

What are the key properties of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide?

N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide has a molecular weight of 407.52 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 97261444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).