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

C22H23N3O2 — CID 109241956

IUPAC5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)Nc3ccccc3OC(C)C)c2)c1
InChIInChI=1S/C22H23N3O2/c1-15(2)27-21-10-5-4-9-20(21)25-22(26)17-12-19(14-23-13-17)24-18-8-6-7-16(3)11-18/h4-15,24H,1-3H3,(H,25,26)
InChIKeyBMMJLONGYGNXHO-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.17
Rot. Bonds6

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

5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109241956) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109241956
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)Nc3ccccc3OC(C)C)c2)c1
InChIInChI=1S/C22H23N3O2/c1-15(2)27-21-10-5-4-9-20(21)25-22(26)17-12-19(14-23-13-17)24-18-8-6-7-16(3)11-18/h4-15,24H,1-3H3,(H,25,26)
InChIKeyBMMJLONGYGNXHO-UHFFFAOYSA-N
XLogP5.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109244694
5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245567
1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049370
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
methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109241968
N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232306
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223094
5-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245566
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109232172

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109241956) is 5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is Cc1cccc(Nc2cncc(C(=O)Nc3ccccc3OC(C)C)c2)c1.
What is the InChIKey of 5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is BMMJLONGYGNXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)27-21-10-5-4-9-20(21)25-22(26)17-12-19(14-23-13-17)24-18-8-6-7-16(3)11-18/h4-15,24H,1-3H3,(H,25,26).
What are the key properties of 5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109241956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).