N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide

C21H22N4O2 — CID 10270022

IUPACN-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)Nc3ccccc3N)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-17-9-6-15(7-10-17)12-13-23-20-11-8-16(14-24-20)21(26)25-19-5-3-2-4-18(19)22/h2-11,14H,12-13,22H2,1H3,(H,23,24)(H,25,26)
InChIKeyYIEZALBXLNXYSW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.58
Rot. Bonds7

About N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 10270022) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
PubChem CID10270022
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)Nc3ccccc3N)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-17-9-6-15(7-10-17)12-13-23-20-11-8-16(14-24-20)21(26)25-19-5-3-2-4-18(19)22/h2-11,14H,12-13,22H2,1H3,(H,23,24)(H,25,26)
InChIKeyYIEZALBXLNXYSW-UHFFFAOYSA-N
XLogP3.58
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide (CID 10270022) is N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide is COc1ccc(CCNc2ccc(C(=O)Nc3ccccc3N)cn2)cc1.
What is the InChIKey of N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is YIEZALBXLNXYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-17-9-6-15(7-10-17)12-13-23-20-11-8-16(14-24-20)21(26)25-19-5-3-2-4-18(19)22/h2-11,14H,12-13,22H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 10270022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).