N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide

C23H26N4O2 — CID 109158806

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(N(C)CCc2ccncc2)nc1
InChIInChI=1S/C23H26N4O2/c1-27(16-12-18-9-13-24-14-10-18)22-8-7-20(17-26-22)23(28)25-15-11-19-5-3-4-6-21(19)29-2/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,25,28)
InChIKeyLVGOVTCKBHXIEL-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.14
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (PubChem CID 109158806) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
PubChem CID109158806
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(N(C)CCc2ccncc2)nc1
InChIInChI=1S/C23H26N4O2/c1-27(16-12-18-9-13-24-14-10-18)22-8-7-20(17-26-22)23(28)25-15-11-19-5-3-4-6-21(19)29-2/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,25,28)
InChIKeyLVGOVTCKBHXIEL-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

6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109236583
N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109153874
N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192474
N-[2-(2-methoxyphenyl)ethyl]-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214259
2,6-dimethoxy-N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]benzamide
CID 113013518
N-(2-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159133
N-[2-(2-methoxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 107261353
N-[2-(2-methoxyphenyl)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964258
6-(butan-2-ylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109151959
2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260197
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (CID 109158806) is N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is COc1ccccc1CCNC(=O)c1ccc(N(C)CCc2ccncc2)nc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The InChIKey is LVGOVTCKBHXIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27(16-12-18-9-13-24-14-10-18)22-8-7-20(17-26-22)23(28)25-15-11-19-5-3-4-6-21(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]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-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]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109158806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).