N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide

C24H27N3O2 — CID 109214380

IUPACN-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(NCCc2ccccc2OC)ccn1)c1cccc(C)c1
InChIInChI=1S/C24H27N3O2/c1-4-27(21-10-7-8-18(2)16-21)24(28)22-17-20(13-15-26-22)25-14-12-19-9-5-6-11-23(19)29-3/h5-11,13,15-17H,4,12,14H2,1-3H3,(H,25,26)
InChIKeyGIEVDDBNBUGTLU-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.72
Rot. Bonds8

About N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide

N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109214380) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109214380
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(NCCc2ccccc2OC)ccn1)c1cccc(C)c1
InChIInChI=1S/C24H27N3O2/c1-4-27(21-10-7-8-18(2)16-21)24(28)22-17-20(13-15-26-22)25-14-12-19-9-5-6-11-23(19)29-3/h5-11,13,15-17H,4,12,14H2,1-3H3,(H,25,26)
InChIKeyGIEVDDBNBUGTLU-UHFFFAOYSA-N
XLogP4.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109214380) is N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide is CCN(C(=O)c1cc(NCCc2ccccc2OC)ccn1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is GIEVDDBNBUGTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-27(21-10-7-8-18(2)16-21)24(28)22-17-20(13-15-26-22)25-14-12-19-9-5-6-11-23(19)29-3/h5-11,13,15-17H,4,12,14H2,1-3H3,(H,25,26).
What are the key properties of N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109214380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).