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

C24H28N6O — CID 53311560

IUPACN-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
SMILESCc1cncc(N2CCN(c3cc(C(C)C)ccc3NC(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C24H28N6O/c1-17(2)19-6-7-21(28-24(31)20-5-4-8-25-15-20)22(13-19)29-9-11-30(12-10-29)23-16-26-14-18(3)27-23/h4-8,13-17H,9-12H2,1-3H3,(H,28,31)
InChIKeyGFRXMUADNUMGFX-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.88
Rot. Bonds5

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

N-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide (PubChem CID 53311560) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
PubChem CID53311560
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC NameN-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
SMILESCc1cncc(N2CCN(c3cc(C(C)C)ccc3NC(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C24H28N6O/c1-17(2)19-6-7-21(28-24(31)20-5-4-8-25-15-20)22(13-19)29-9-11-30(12-10-29)23-16-26-14-18(3)27-23/h4-8,13-17H,9-12H2,1-3H3,(H,28,31)
InChIKeyGFRXMUADNUMGFX-UHFFFAOYSA-N
XLogP3.88
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.88
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-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide (CID 53311560) is N-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide is Cc1cncc(N2CCN(c3cc(C(C)C)ccc3NC(=O)c3cccnc3)CC2)n1.
What is the InChIKey of N-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
The InChIKey is GFRXMUADNUMGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-17(2)19-6-7-21(28-24(31)20-5-4-8-25-15-20)22(13-19)29-9-11-30(12-10-29)23-16-26-14-18(3)27-23/h4-8,13-17H,9-12H2,1-3H3,(H,28,31).
What are the key properties of N-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide?
N-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 53311560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).