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

C24H24N4O2 — CID 1086030

IUPACN-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cccnc3)cc2)CC1
InChIInChI=1S/C24H24N4O2/c1-18-5-2-3-7-22(18)24(30)28-15-13-27(14-16-28)21-10-8-20(9-11-21)26-23(29)19-6-4-12-25-17-19/h2-12,17H,13-16H2,1H3,(H,26,29)
InChIKeyDNOWULGORUNNHT-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.60
Rot. Bonds4

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

N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 1086030) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID1086030
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cccnc3)cc2)CC1
InChIInChI=1S/C24H24N4O2/c1-18-5-2-3-7-22(18)24(30)28-15-13-27(14-16-28)21-10-8-20(9-11-21)26-23(29)19-6-4-12-25-17-19/h2-12,17H,13-16H2,1H3,(H,26,29)
InChIKeyDNOWULGORUNNHT-UHFFFAOYSA-N
XLogP3.60
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.60
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide (CID 1086030) is N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide is Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cccnc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is DNOWULGORUNNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-18-5-2-3-7-22(18)24(30)28-15-13-27(14-16-28)21-10-8-20(9-11-21)26-23(29)19-6-4-12-25-17-19/h2-12,17H,13-16H2,1H3,(H,26,29).
What are the key properties of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.60, 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-methylbenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1086030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).