N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide

C24H29N5O2 — CID 45271830

IUPACN-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2cncc(NC(CCC)c3cccnc3)n2)cc1OC
InChIInChI=1S/C24H29N5O2/c1-4-7-19(18-9-6-12-25-14-18)27-23-16-26-15-21(28-23)17-10-11-20(22(13-17)31-3)29-24(30)8-5-2/h6,9-16,19H,4-5,7-8H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyVDFNEYLYERKZKT-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.24
Rot. Bonds10

About N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide

N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide (PubChem CID 45271830) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide
PubChem CID45271830
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2cncc(NC(CCC)c3cccnc3)n2)cc1OC
InChIInChI=1S/C24H29N5O2/c1-4-7-19(18-9-6-12-25-14-18)27-23-16-26-15-21(28-23)17-10-11-20(22(13-17)31-3)29-24(30)8-5-2/h6,9-16,19H,4-5,7-8H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyVDFNEYLYERKZKT-UHFFFAOYSA-N
XLogP5.24
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[3-[4-(2-methoxy-4-methylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
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7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2(1H)-one
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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide?
The IUPAC name of N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide (CID 45271830) is N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide.
What is the SMILES notation for N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide?
The canonical SMILES for N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide is CCCC(=O)Nc1ccc(-c2cncc(NC(CCC)c3cccnc3)n2)cc1OC.
What is the InChIKey of N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide?
The InChIKey is VDFNEYLYERKZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-4-7-19(18-9-6-12-25-14-18)27-23-16-26-15-21(28-23)17-10-11-20(22(13-17)31-3)29-24(30)8-5-2/h6,9-16,19H,4-5,7-8H2,1-3H3,(H,27,28)(H,29,30).
What are the key properties of N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide?
N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide has a molecular weight of 419.53 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]butanamide is sourced from PubChem (CID 45271830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).