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

C22H25N5OS — CID 53312315

IUPACN-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C22H25N5OS/c1-16(2)17-5-6-19(25-21(28)18-4-3-7-23-15-18)20(14-17)26-9-11-27(12-10-26)22-24-8-13-29-22/h3-8,13-16H,9-12H2,1-2H3,(H,25,28)
InChIKeyXJODWNGVERGAGS-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.24
Rot. Bonds5

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

N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 53312315) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID53312315
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC NameN-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C22H25N5OS/c1-16(2)17-5-6-19(25-21(28)18-4-3-7-23-15-18)20(14-17)26-9-11-27(12-10-26)22-24-8-13-29-22/h3-8,13-16H,9-12H2,1-2H3,(H,25,28)
InChIKeyXJODWNGVERGAGS-UHFFFAOYSA-N
XLogP4.24
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide (CID 53312315) is N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3nccs3)CC2)c1.
What is the InChIKey of N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is XJODWNGVERGAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-16(2)17-5-6-19(25-21(28)18-4-3-7-23-15-18)20(14-17)26-9-11-27(12-10-26)22-24-8-13-29-22/h3-8,13-16H,9-12H2,1-2H3,(H,25,28).
What are the key properties of N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide?
N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-propan-2-yl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 53312315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).