5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide

C24H28N4O3 — CID 67067235

IUPAC5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide
SMILESCCCCCN(Cc1ccc(Oc2cnc(C(N)=O)cn2)c(OC)c1)c1ccccc1
InChIInChI=1S/C24H28N4O3/c1-3-4-8-13-28(19-9-6-5-7-10-19)17-18-11-12-21(22(14-18)30-2)31-23-16-26-20(15-27-23)24(25)29/h5-7,9-12,14-16H,3-4,8,13,17H2,1-2H3,(H2,25,29)
InChIKeyFNRLVUFLCGVEIO-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.57
Rot. Bonds11

About 5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide

5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide (PubChem CID 67067235) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide
PubChem CID67067235
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide
SMILESCCCCCN(Cc1ccc(Oc2cnc(C(N)=O)cn2)c(OC)c1)c1ccccc1
InChIInChI=1S/C24H28N4O3/c1-3-4-8-13-28(19-9-6-5-7-10-19)17-18-11-12-21(22(14-18)30-2)31-23-16-26-20(15-27-23)24(25)29/h5-7,9-12,14-16H,3-4,8,13,17H2,1-2H3,(H2,25,29)
InChIKeyFNRLVUFLCGVEIO-UHFFFAOYSA-N
XLogP4.57
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-fluoro-4-[(hexylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730293
4-[(N-butylanilino)methyl]pyridine-2-carbothioamide
CID 64592322
2-methoxy-4-[[methyl(pentyl)amino]methyl]benzoic acid
CID 106793474
N-[(3,4-dimethoxyphenyl)methyl]-N-phenylcarbamoyl chloride
CID 24836611
4-[(N-butylanilino)methyl]-2,6-dimethylphenol
CID 82965621
2-[6-[4-(2-amino-2-oxoethyl)-2-methoxyphenoxy]-3-pyridinyl]acetic acid
CID 139479710
6-[4-[(hexylamino)methyl]-2-methoxyphenoxy]pyridine-3-carboxamide;methanesulfonic acid
CID 87560034
4-[(N-butylanilino)methyl]pyridin-2-amine
CID 64585240
4-[(N-ethylanilino)methyl]-2-methoxybenzenecarbothioamide
CID 106788702
N-[(3,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)butan-1-amine
CID 141000405
N-butyl-N-[(3,4-dimethoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 18736111
4-[(N-butylanilino)methyl]pyrimidine-5-carboxylic acid
CID 102974411

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide?
The IUPAC name of 5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide (CID 67067235) is 5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide is CCCCCN(Cc1ccc(Oc2cnc(C(N)=O)cn2)c(OC)c1)c1ccccc1.
What is the InChIKey of 5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide?
The InChIKey is FNRLVUFLCGVEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-4-8-13-28(19-9-6-5-7-10-19)17-18-11-12-21(22(14-18)30-2)31-23-16-26-20(15-27-23)24(25)29/h5-7,9-12,14-16H,3-4,8,13,17H2,1-2H3,(H2,25,29).
What are the key properties of 5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide?
5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-[(N-pentylanilino)methyl]phenoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 67067235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).