5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

C24H27N3O2 — CID 109245566

IUPAC5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C24H27N3O2/c1-5-27(20-10-8-9-18(4)13-20)21-14-19(15-25-16-21)24(28)26-22-11-6-7-12-23(22)29-17(2)3/h6-17H,5H2,1-4H3,(H,26,28)
InChIKeyWBQPEOCGDZWUKO-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.59
Rot. Bonds7

About 5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109245566) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109245566
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C24H27N3O2/c1-5-27(20-10-8-9-18(4)13-20)21-14-19(15-25-16-21)24(28)26-22-11-6-7-12-23(22)29-17(2)3/h6-17H,5H2,1-4H3,(H,26,28)
InChIKeyWBQPEOCGDZWUKO-UHFFFAOYSA-N
XLogP5.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[5-(N-ethyl-3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245916
2-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317989
5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241956
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
CID 109246001
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
N-(3-chloro-4-methoxyphenyl)-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
CID 109245017
5-(N-ethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241654
N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223094
1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049370
3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054
5-(2-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245416
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109245566) is 5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is CCN(c1cccc(C)c1)c1cncc(C(=O)Nc2ccccc2OC(C)C)c1.
What is the InChIKey of 5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is WBQPEOCGDZWUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-5-27(20-10-8-9-18(4)13-20)21-14-19(15-25-16-21)24(28)26-22-11-6-7-12-23(22)29-17(2)3/h6-17H,5H2,1-4H3,(H,26,28).
What are the key properties of 5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109245566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).