N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide

C26H30N6O — CID 70685184

IUPACN-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3cncc(C4CC4)n3)CC2)c1
InChIInChI=1S/C26H30N6O/c1-18(2)20-7-8-22(30-26(33)21-4-3-9-27-15-21)24(14-20)31-10-12-32(13-11-31)25-17-28-16-23(29-25)19-5-6-19/h3-4,7-9,14-19H,5-6,10-13H2,1-2H3,(H,30,33)
InChIKeyWBPIFCFWFPXTRK-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.45
Rot. Bonds6

About N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide

N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide (PubChem CID 70685184) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
PubChem CID70685184
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC NameN-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3cncc(C4CC4)n3)CC2)c1
InChIInChI=1S/C26H30N6O/c1-18(2)20-7-8-22(30-26(33)21-4-3-9-27-15-21)24(14-20)31-10-12-32(13-11-31)25-17-28-16-23(29-25)19-5-6-19/h3-4,7-9,14-19H,5-6,10-13H2,1-2H3,(H,30,33)
InChIKeyWBPIFCFWFPXTRK-UHFFFAOYSA-N
XLogP4.45
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide (CID 70685184) is N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2cccnc2)c(N2CCN(c3cncc(C4CC4)n3)CC2)c1.
What is the InChIKey of N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
The InChIKey is WBPIFCFWFPXTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-18(2)20-7-8-22(30-26(33)21-4-3-9-27-15-21)24(14-20)31-10-12-32(13-11-31)25-17-28-16-23(29-25)19-5-6-19/h3-4,7-9,14-19H,5-6,10-13H2,1-2H3,(H,30,33).
What are the key properties of N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide has a molecular weight of 442.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 70685184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).