1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one

C24H28N4O — CID 58496576

IUPAC1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one
SMILESCCCC(=O)Cc1ccc(-c2cncc(NC(CCC)c3cccnc3)n2)cc1
InChIInChI=1S/C24H28N4O/c1-3-6-21(29)14-18-9-11-19(12-10-18)23-16-26-17-24(28-23)27-22(7-4-2)20-8-5-13-25-15-20/h5,8-13,15-17,22H,3-4,6-7,14H2,1-2H3,(H,27,28)
InChIKeyQFBVJCNAYWHDRA-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.40
Rot. Bonds10

About 1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one

1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one (PubChem CID 58496576) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one.

Molecular Properties

Compound Name1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one
PubChem CID58496576
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one
SMILESCCCC(=O)Cc1ccc(-c2cncc(NC(CCC)c3cccnc3)n2)cc1
InChIInChI=1S/C24H28N4O/c1-3-6-21(29)14-18-9-11-19(12-10-18)23-16-26-17-24(28-23)27-22(7-4-2)20-8-5-13-25-15-20/h5,8-13,15-17,22H,3-4,6-7,14H2,1-2H3,(H,27,28)
InChIKeyQFBVJCNAYWHDRA-UHFFFAOYSA-N
XLogP5.40
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one with MolForge

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Related Compounds

1-ethyl-3-[2-ethyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea;methane
CID 159365500
N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide
CID 11316795
N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
CID 11395490
1-[3-(diethylamino)propyl]-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11352655
N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide
CID 11304630
N-[3-(diethylamino)propyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide
CID 11167065
1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
CID 159545880
N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine
CID 104581333
1-pyridin-3-yldecan-2-one
CID 62621024
3-(1-pyridin-3-ylbutylamino)butan-1-ol
CID 104582590
N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide
CID 58496570
1-ethyl-3-[2-methoxy-4-[4-methyl-6-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea;molecular hydrogen
CID 163291094

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one?
The IUPAC name of 1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one (CID 58496576) is 1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one.
What is the SMILES notation for 1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one?
The canonical SMILES for 1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one is CCCC(=O)Cc1ccc(-c2cncc(NC(CCC)c3cccnc3)n2)cc1.
What is the InChIKey of 1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one?
The InChIKey is QFBVJCNAYWHDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-3-6-21(29)14-18-9-11-19(12-10-18)23-16-26-17-24(28-23)27-22(7-4-2)20-8-5-13-25-15-20/h5,8-13,15-17,22H,3-4,6-7,14H2,1-2H3,(H,27,28).
What are the key properties of 1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one?
1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one has a molecular weight of 388.52 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one is sourced from PubChem (CID 58496576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).