N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide

C22H23N3O2 — CID 109231733

IUPACN-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H23N3O2/c1-16(2)27-21-11-7-6-10-20(21)25-19-12-18(14-23-15-19)22(26)24-13-17-8-4-3-5-9-17/h3-12,14-16,25H,13H2,1-2H3,(H,24,26)
InChIKeyMGPXRCWWLXYLNJ-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.54
Rot. Bonds7

About N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide

N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide (PubChem CID 109231733) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
PubChem CID109231733
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H23N3O2/c1-16(2)27-21-11-7-6-10-20(21)25-19-12-18(14-23-15-19)22(26)24-13-17-8-4-3-5-9-17/h3-12,14-16,25H,13H2,1-2H3,(H,24,26)
InChIKeyMGPXRCWWLXYLNJ-UHFFFAOYSA-N
XLogP4.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232306
3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054
N-(3-methoxypropyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228125
N,N-diethyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109238819
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
N-(oxolan-2-ylmethyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228849
N-cyclohexyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226755
N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109231717
N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109231634
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109105048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide (CID 109231733) is N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide is CC(C)Oc1ccccc1Nc1cncc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The InChIKey is MGPXRCWWLXYLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(2)27-21-11-7-6-10-20(21)25-19-12-18(14-23-15-19)22(26)24-13-17-8-4-3-5-9-17/h3-12,14-16,25H,13H2,1-2H3,(H,24,26).
What are the key properties of N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109231733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).