N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide

C22H23N3O2 — CID 113027443

IUPACN-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(CNc2ccc(NC(=O)Cc3ccccc3C)nc2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-5-3-4-6-18(16)13-22(26)25-21-12-9-19(15-24-21)23-14-17-7-10-20(27-2)11-8-17/h3-12,15,23H,13-14H2,1-2H3,(H,24,25,26)
InChIKeyPMNSVWDLGRTQCM-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.19
Rot. Bonds7

About N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide

N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide (PubChem CID 113027443) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
PubChem CID113027443
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(CNc2ccc(NC(=O)Cc3ccccc3C)nc2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-5-3-4-6-18(16)13-22(26)25-21-12-9-19(15-24-21)23-14-17-7-10-20(27-2)11-8-17/h3-12,15,23H,13-14H2,1-2H3,(H,24,25,26)
InChIKeyPMNSVWDLGRTQCM-UHFFFAOYSA-N
XLogP4.19
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide (CID 113027443) is N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide is COc1ccc(CNc2ccc(NC(=O)Cc3ccccc3C)nc2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The InChIKey is PMNSVWDLGRTQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-5-3-4-6-18(16)13-22(26)25-21-12-9-19(15-24-21)23-14-17-7-10-20(27-2)11-8-17/h3-12,15,23H,13-14H2,1-2H3,(H,24,25,26).
What are the key properties of N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide?
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113027443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).