3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide

C22H23N3O2 — CID 164735200

IUPAC3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(Nc2cc(Cc3ccccc3)ccn2)cccc1C(=O)NCCO
InChIInChI=1S/C22H23N3O2/c1-16-19(22(27)24-12-13-26)8-5-9-20(16)25-21-15-18(10-11-23-21)14-17-6-3-2-4-7-17/h2-11,15,26H,12-14H2,1H3,(H,23,25)(H,24,27)
InChIKeyRRDLESZCTQVWFE-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.45
Rot. Bonds7

About 3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide

3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 164735200) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID164735200
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(Nc2cc(Cc3ccccc3)ccn2)cccc1C(=O)NCCO
InChIInChI=1S/C22H23N3O2/c1-16-19(22(27)24-12-13-26)8-5-9-20(16)25-21-15-18(10-11-23-21)14-17-6-3-2-4-7-17/h2-11,15,26H,12-14H2,1H3,(H,23,25)(H,24,27)
InChIKeyRRDLESZCTQVWFE-UHFFFAOYSA-N
XLogP3.45
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide (CID 164735200) is 3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1c(Nc2cc(Cc3ccccc3)ccn2)cccc1C(=O)NCCO.
What is the InChIKey of 3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is RRDLESZCTQVWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-19(22(27)24-12-13-26)8-5-9-20(16)25-21-15-18(10-11-23-21)14-17-6-3-2-4-7-17/h2-11,15,26H,12-14H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzyl-2-pyridinyl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 164735200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).