N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide

C24H26N4O — CID 112984500

IUPACN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)c4cccnc4)cc3)CC2)c1C
InChIInChI=1S/C24H26N4O/c1-18-5-3-7-23(19(18)2)28-15-13-27(14-16-28)22-10-8-21(9-11-22)26-24(29)20-6-4-12-25-17-20/h3-12,17H,13-16H2,1-2H3,(H,26,29)
InChIKeyGOSWODZJWXXNJW-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.28
Rot. Bonds4

About N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide

N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 112984500) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID112984500
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)c4cccnc4)cc3)CC2)c1C
InChIInChI=1S/C24H26N4O/c1-18-5-3-7-23(19(18)2)28-15-13-27(14-16-28)22-10-8-21(9-11-22)26-24(29)20-6-4-12-25-17-20/h3-12,17H,13-16H2,1-2H3,(H,26,29)
InChIKeyGOSWODZJWXXNJW-UHFFFAOYSA-N
XLogP4.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylbenzamide
CID 44527477
5-(2,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109243207
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 113031155
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 109222825
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42858990
N-[4-[[(2,3-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 10598173
N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634320
N-[3-[3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 42433151
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110425405
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide (CID 112984500) is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide is Cc1cccc(N2CCN(c3ccc(NC(=O)c4cccnc4)cc3)CC2)c1C.
What is the InChIKey of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is GOSWODZJWXXNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-5-3-7-23(19(18)2)28-15-13-27(14-16-28)22-10-8-21(9-11-22)26-24(29)20-6-4-12-25-17-20/h3-12,17H,13-16H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 112984500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).