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

C23H26N4O2 — CID 109158980

IUPAC6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)N(C)CCc3ccncc3)cn2)cc1
InChIInChI=1S/C23H26N4O2/c1-27(16-12-19-9-13-24-14-10-19)23(28)20-5-8-22(26-17-20)25-15-11-18-3-6-21(29-2)7-4-18/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,25,26)
InChIKeyKSBHVQHFPBYRFH-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.45
Rot. Bonds9

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

6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 109158980) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID109158980
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)N(C)CCc3ccncc3)cn2)cc1
InChIInChI=1S/C23H26N4O2/c1-27(16-12-19-9-13-24-14-10-19)23(28)20-5-8-22(26-17-20)25-15-11-18-3-6-21(29-2)7-4-18/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,25,26)
InChIKeyKSBHVQHFPBYRFH-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158989
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158114
6-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109152716
6-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109156607
N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159233
5-[(4-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109190465
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
6-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159231
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895350

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 109158980) is 6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is COc1ccc(CCNc2ccc(C(=O)N(C)CCc3ccncc3)cn2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is KSBHVQHFPBYRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27(16-12-19-9-13-24-14-10-19)23(28)20-5-8-22(26-17-20)25-15-11-18-3-6-21(29-2)7-4-18/h3-10,13-14,17H,11-12,15-16H2,1-2H3,(H,25,26).
What are the key properties of 6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109158980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).