N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide

C22H23N3O2 — CID 58802007

IUPACN-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide
SMILESCO/N=C(\C)c1ccc(-c2ccccc2NC(=O)c2cn(C)cc2C)cc1
InChIInChI=1S/C22H23N3O2/c1-15-13-25(3)14-20(15)22(26)23-21-8-6-5-7-19(21)18-11-9-17(10-12-18)16(2)24-27-4/h5-14H,1-4H3,(H,23,26)/b24-16+
InChIKeyBGVWGRHJJUHYMC-LFVJCYFKSA-N
MW361.45 g/mol
LogP4.62
Rot. Bonds5

About N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide

N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide (PubChem CID 58802007) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide
PubChem CID58802007
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide
SMILESCO/N=C(\C)c1ccc(-c2ccccc2NC(=O)c2cn(C)cc2C)cc1
InChIInChI=1S/C22H23N3O2/c1-15-13-25(3)14-20(15)22(26)23-21-8-6-5-7-19(21)18-11-9-17(10-12-18)16(2)24-27-4/h5-14H,1-4H3,(H,23,26)/b24-16+
InChIKeyBGVWGRHJJUHYMC-LFVJCYFKSA-N
XLogP4.62
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide
CID 91533678
N-[2-[4-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 58801962
1,3-dimethyl-N-[2-[4-[(E)-C-methyl-N-propoxycarbonimidoyl]phenyl]phenyl]-5-phosphanylpyrazole-4-carboxamide
CID 142109344
methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate
CID 58981232
N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane
CID 143363894
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
ethane;N-[2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 142109319
1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 91318500
4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide
CID 91542727
1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide
CID 142109331
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
N-[2-(3,4-dichlorophenyl)phenyl]-3-iodo-1-methylpyrazole-4-carboxamide
CID 11454250

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide (CID 58802007) is N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide is CO/N=C(\C)c1ccc(-c2ccccc2NC(=O)c2cn(C)cc2C)cc1.
What is the InChIKey of N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide?
The InChIKey is BGVWGRHJJUHYMC-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-13-25(3)14-20(15)22(26)23-21-8-6-5-7-19(21)18-11-9-17(10-12-18)16(2)24-27-4/h5-14H,1-4H3,(H,23,26)/b24-16+.
What are the key properties of N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide?
N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 58802007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).