2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide

C23H24FN3O2 — CID 126629398

IUPAC2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESCCNc1ccc(-c2ncccc2CO)cc1C(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C23H24FN3O2/c1-3-25-21-9-8-17(22-18(14-28)5-4-10-26-22)12-19(21)23(29)27-13-16-7-6-15(2)20(24)11-16/h4-12,25,28H,3,13-14H2,1-2H3,(H,27,29)
InChIKeyBTZYUKMBCCQZHT-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.05
Rot. Bonds7

About 2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide

2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide (PubChem CID 126629398) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
PubChem CID126629398
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESCCNc1ccc(-c2ncccc2CO)cc1C(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C23H24FN3O2/c1-3-25-21-9-8-17(22-18(14-28)5-4-10-26-22)12-19(21)23(29)27-13-16-7-6-15(2)20(24)11-16/h4-12,25,28H,3,13-14H2,1-2H3,(H,27,29)
InChIKeyBTZYUKMBCCQZHT-UHFFFAOYSA-N
XLogP4.05
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide (CID 126629398) is 2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide is CCNc1ccc(-c2ncccc2CO)cc1C(=O)NCc1ccc(C)c(F)c1.
What is the InChIKey of 2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The InChIKey is BTZYUKMBCCQZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-3-25-21-9-8-17(22-18(14-28)5-4-10-26-22)12-19(21)23(29)27-13-16-7-6-15(2)20(24)11-16/h4-12,25,28H,3,13-14H2,1-2H3,(H,27,29).
What are the key properties of 2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide has a molecular weight of 393.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 126629398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).