N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide

C23H26N4O2 — CID 109192474

IUPACN-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(N(C)CCc2ccncc2)cn1
InChIInChI=1S/C23H26N4O2/c1-27(16-12-18-9-13-24-14-10-18)20-7-8-21(26-17-20)23(28)25-15-11-19-5-3-4-6-22(19)29-2/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,25,28)
InChIKeyKXUDEKVAZAVJFY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.14
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide (PubChem CID 109192474) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
PubChem CID109192474
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(N(C)CCc2ccncc2)cn1
InChIInChI=1S/C23H26N4O2/c1-27(16-12-18-9-13-24-14-10-18)20-7-8-21(26-17-20)23(28)25-15-11-19-5-3-4-6-22(19)29-2/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,25,28)
InChIKeyKXUDEKVAZAVJFY-UHFFFAOYSA-N
XLogP3.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214259
N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109236583
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192949
N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109158806
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192950
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
N-[2-(2-methoxyphenyl)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964258
N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179678
4-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214268
4-[benzyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109211018
N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109277760
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide (CID 109192474) is N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide is COc1ccccc1CCNC(=O)c1ccc(N(C)CCc2ccncc2)cn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
The InChIKey is KXUDEKVAZAVJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27(16-12-18-9-13-24-14-10-18)20-7-8-21(26-17-20)23(28)25-15-11-19-5-3-4-6-22(19)29-2/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 109192474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).