N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide

C22H18ClN3O3 — CID 122175063

IUPACN-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c2C(=O)N(Cc2ccccn2)C3)cc1Cl
InChIInChI=1S/C22H18ClN3O3/c1-29-19-9-8-15(11-18(19)23)25-21(27)17-7-4-5-14-12-26(22(28)20(14)17)13-16-6-2-3-10-24-16/h2-11H,12-13H2,1H3,(H,25,27)
InChIKeyDLJIVMZHFGHOQW-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.15
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide (PubChem CID 122175063) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide
PubChem CID122175063
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c2C(=O)N(Cc2ccccn2)C3)cc1Cl
InChIInChI=1S/C22H18ClN3O3/c1-29-19-9-8-15(11-18(19)23)25-21(27)17-7-4-5-14-12-26(22(28)20(14)17)13-16-6-2-3-10-24-16/h2-11H,12-13H2,1H3,(H,25,27)
InChIKeyDLJIVMZHFGHOQW-UHFFFAOYSA-N
XLogP4.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46253514
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258745
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N'-(3-chloro-4-methoxyphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887210
N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470928
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methoxy-4-(1-methylpyrazol-4-yl)benzamide
CID 135143386
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628178
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide (CID 122175063) is N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide is COc1ccc(NC(=O)c2cccc3c2C(=O)N(Cc2ccccn2)C3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide?
The InChIKey is DLJIVMZHFGHOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-29-19-9-8-15(11-18(19)23)25-21(27)17-7-4-5-14-12-26(22(28)20(14)17)13-16-6-2-3-10-24-16/h2-11H,12-13H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 122175063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).