2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide

C34H38N6O5 — CID 175258596

IUPAC2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCCCCc1ncccc1C(=O)Nc1cccc(-c2cn(C)c(=O)c(Nc3ccc(C(=O)N4CCOC(CO)C4)cc3)n2)c1C
InChIInChI=1S/C34H38N6O5/c1-4-5-10-29-27(9-7-16-35-29)32(42)38-28-11-6-8-26(22(28)2)30-20-39(3)34(44)31(37-30)36-24-14-12-23(13-15-24)33(43)40-17-18-45-25(19-40)21-41/h6-9,11-16,20,25,41H,4-5,10,17-19,21H2,1-3H3,(H,36,37)(H,38,42)
InChIKeyJXOYMFLMGLFGHP-UHFFFAOYSA-N
MW610.72 g/mol
LogP4.32
Rot. Bonds10

About 2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide

2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 175258596) has the molecular formula C34H38N6O5 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID175258596
Molecular FormulaC34H38N6O5
Molecular Weight610.72 g/mol
Exact Mass610.29
IUPAC Name2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCCCCc1ncccc1C(=O)Nc1cccc(-c2cn(C)c(=O)c(Nc3ccc(C(=O)N4CCOC(CO)C4)cc3)n2)c1C
InChIInChI=1S/C34H38N6O5/c1-4-5-10-29-27(9-7-16-35-29)32(42)38-28-11-6-8-26(22(28)2)30-20-39(3)34(44)31(37-30)36-24-14-12-23(13-15-24)33(43)40-17-18-45-25(19-40)21-41/h6-9,11-16,20,25,41H,4-5,10,17-19,21H2,1-3H3,(H,36,37)(H,38,42)
InChIKeyJXOYMFLMGLFGHP-UHFFFAOYSA-N
XLogP4.32
TPSA138.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.72
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide (CID 175258596) is 2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide is CCCCc1ncccc1C(=O)Nc1cccc(-c2cn(C)c(=O)c(Nc3ccc(C(=O)N4CCOC(CO)C4)cc3)n2)c1C.
What is the InChIKey of 2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is JXOYMFLMGLFGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O5/c1-4-5-10-29-27(9-7-16-35-29)32(42)38-28-11-6-8-26(22(28)2)30-20-39(3)34(44)31(37-30)36-24-14-12-23(13-15-24)33(43)40-17-18-45-25(19-40)21-41/h6-9,11-16,20,25,41H,4-5,10,17-19,21H2,1-3H3,(H,36,37)(H,38,42).
What are the key properties of 2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide?
2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 610.72 g/mol, XLogP of 4.32, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[3-[6-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 175258596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).