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

C22H22ClN3O2 — CID 109244694

IUPAC5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1cncc(C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C22H22ClN3O2/c1-14(2)28-21-10-5-4-8-20(21)26-22(27)16-11-17(13-24-12-16)25-19-9-6-7-18(23)15(19)3/h4-14,25H,1-3H3,(H,26,27)
InChIKeyDWYVWVUFIXEZHA-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.83
Rot. Bonds6

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

5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109244694) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109244694
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1cncc(C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C22H22ClN3O2/c1-14(2)28-21-10-5-4-8-20(21)26-22(27)16-11-17(13-24-12-16)25-19-9-6-7-18(23)15(19)3/h4-14,25H,1-3H3,(H,26,27)
InChIKeyDWYVWVUFIXEZHA-UHFFFAOYSA-N
XLogP5.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241956
5-(2-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245416
5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245567
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109243291
N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223094
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109232172
N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225036
N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109231717
N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232306
N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109231733
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109244694) is 5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is Cc1c(Cl)cccc1Nc1cncc(C(=O)Nc2ccccc2OC(C)C)c1.
What is the InChIKey of 5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is DWYVWVUFIXEZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-14(2)28-21-10-5-4-8-20(21)26-22(27)16-11-17(13-24-12-16)25-19-9-6-7-18(23)15(19)3/h4-14,25H,1-3H3,(H,26,27).
What are the key properties of 5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109244694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).