3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C22H29N3O — CID 122568101

IUPAC3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCc1nc(-c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)ccc1C
InChIInChI=1S/C22H29N3O/c1-5-20-16(2)9-10-21(23-20)17-7-6-8-18(15-17)22(26)25(4)19-11-13-24(3)14-12-19/h6-10,15,19H,5,11-14H2,1-4H3
InChIKeyLQSGBVYVABPGAY-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.79
Rot. Bonds4

About 3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 122568101) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID122568101
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCc1nc(-c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)ccc1C
InChIInChI=1S/C22H29N3O/c1-5-20-16(2)9-10-21(23-20)17-7-6-8-18(15-17)22(26)25(4)19-11-13-24(3)14-12-19/h6-10,15,19H,5,11-14H2,1-4H3
InChIKeyLQSGBVYVABPGAY-UHFFFAOYSA-N
XLogP3.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 122568101) is 3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CCc1nc(-c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)ccc1C.
What is the InChIKey of 3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is LQSGBVYVABPGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-5-20-16(2)9-10-21(23-20)17-7-6-8-18(15-17)22(26)25(4)19-11-13-24(3)14-12-19/h6-10,15,19H,5,11-14H2,1-4H3.
What are the key properties of 3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 351.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-5-methyl-2-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 122568101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).