2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide

C24H26N4O2 — CID 60516023

IUPAC2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)cn1
InChIInChI=1S/C24H26N4O2/c1-3-28(4-2)22-15-14-18(16-25-22)17-26-24(30)20-12-8-9-13-21(20)27-23(29)19-10-6-5-7-11-19/h5-16H,3-4,17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyMFHJZVUPSMSLKO-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.11
Rot. Bonds8

About 2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide

2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide (PubChem CID 60516023) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
PubChem CID60516023
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)cn1
InChIInChI=1S/C24H26N4O2/c1-3-28(4-2)22-15-14-18(16-25-22)17-26-24(30)20-12-8-9-13-21(20)27-23(29)19-10-6-5-7-11-19/h5-16H,3-4,17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyMFHJZVUPSMSLKO-UHFFFAOYSA-N
XLogP4.11
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide (CID 60516023) is 2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide is CCN(CC)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)cn1.
What is the InChIKey of 2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
The InChIKey is MFHJZVUPSMSLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-3-28(4-2)22-15-14-18(16-25-22)17-26-24(30)20-12-8-9-13-21(20)27-23(29)19-10-6-5-7-11-19/h5-16H,3-4,17H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide?
2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 60516023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).