5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

C22H24N4O3 — CID 109237038

IUPAC5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Nc2cncc(C(=O)N(C)CCc3ccncc3)c2)c1
InChIInChI=1S/C22H24N4O3/c1-26(11-8-16-6-9-23-10-7-16)22(27)17-12-18(15-24-14-17)25-20-13-19(28-2)4-5-21(20)29-3/h4-7,9-10,12-15,25H,8,11H2,1-3H3
InChIKeyPKIBSLJOBOWPKG-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.55
Rot. Bonds8

About 5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 109237038) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID109237038
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Nc2cncc(C(=O)N(C)CCc3ccncc3)c2)c1
InChIInChI=1S/C22H24N4O3/c1-26(11-8-16-6-9-23-10-7-16)22(27)17-12-18(15-24-14-17)25-20-13-19(28-2)4-5-21(20)29-3/h4-7,9-10,12-15,25H,8,11H2,1-3H3
InChIKeyPKIBSLJOBOWPKG-UHFFFAOYSA-N
XLogP3.55
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309086
5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237048
N-methyl-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639
N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995
6-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159231
N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109240290
5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223294
N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109223006
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285036
5-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243458

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 109237038) is 5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is COc1ccc(OC)c(Nc2cncc(C(=O)N(C)CCc3ccncc3)c2)c1.
What is the InChIKey of 5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is PKIBSLJOBOWPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-26(11-8-16-6-9-23-10-7-16)22(27)17-12-18(15-24-14-17)25-20-13-19(28-2)4-5-21(20)29-3/h4-7,9-10,12-15,25H,8,11H2,1-3H3.
What are the key properties of 5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109237038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).