N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide

C23H25N3O2 — CID 109172803

IUPACN-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNc1cc(C(=O)Nc2ccc(C)c(C)c2)ccn1
InChIInChI=1S/C23H25N3O2/c1-16-8-9-20(14-17(16)2)26-23(27)19-11-13-25-22(15-19)24-12-10-18-6-4-5-7-21(18)28-3/h4-9,11,13-15H,10,12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyRZBPBMKYZCDOFP-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.61
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide

N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide (PubChem CID 109172803) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
PubChem CID109172803
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNc1cc(C(=O)Nc2ccc(C)c(C)c2)ccn1
InChIInChI=1S/C23H25N3O2/c1-16-8-9-20(14-17(16)2)26-23(27)19-11-13-25-22(15-19)24-12-10-18-6-4-5-7-21(18)28-3/h4-9,11,13-15H,10,12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyRZBPBMKYZCDOFP-UHFFFAOYSA-N
XLogP4.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide (CID 109172803) is N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide is COc1ccccc1CCNc1cc(C(=O)Nc2ccc(C)c(C)c2)ccn1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The InChIKey is RZBPBMKYZCDOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-8-9-20(14-17(16)2)26-23(27)19-11-13-25-22(15-19)24-12-10-18-6-4-5-7-21(18)28-3/h4-9,11,13-15H,10,12H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109172803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).