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

C22H23N5O2 — CID 109192922

IUPAC5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)nc2)c1
InChIInChI=1S/C22H23N5O2/c1-16(28)25-18-4-3-5-19(14-18)26-20-6-7-21(24-15-20)22(29)27(2)13-10-17-8-11-23-12-9-17/h3-9,11-12,14-15,26H,10,13H2,1-2H3,(H,25,28)
InChIKeyRFSVDVROYQHKQG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.49
Rot. Bonds7

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

5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 109192922) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
PubChem CID109192922
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)nc2)c1
InChIInChI=1S/C22H23N5O2/c1-16(28)25-18-4-3-5-19(14-18)26-20-6-7-21(24-15-20)22(29)27(2)13-10-17-8-11-23-12-9-17/h3-9,11-12,14-15,26H,10,13H2,1-2H3,(H,25,28)
InChIKeyRFSVDVROYQHKQG-UHFFFAOYSA-N
XLogP3.49
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethyl-6-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192888
N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192889
5-[3-(dimethylamino)propylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109186113
5-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109181625
N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285128
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
5-[(4-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109190465
6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122715
N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995
5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
2-N-(3-chlorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098702
4-(2,6-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214723

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (CID 109192922) is 5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is CC(=O)Nc1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)nc2)c1.
What is the InChIKey of 5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is RFSVDVROYQHKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16(28)25-18-4-3-5-19(14-18)26-20-6-7-21(24-15-20)22(29)27(2)13-10-17-8-11-23-12-9-17/h3-9,11-12,14-15,26H,10,13H2,1-2H3,(H,25,28).
What are the key properties of 5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109192922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).