N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide

C22H28N4O4 — CID 23857785

IUPACN-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide
SMILESCCOc1cc(NC(=O)C2CCCCC2)c(OCC)cc1NC(=O)c1cnccn1
InChIInChI=1S/C22H28N4O4/c1-3-29-19-13-17(26-22(28)18-14-23-10-11-24-18)20(30-4-2)12-16(19)25-21(27)15-8-6-5-7-9-15/h10-15H,3-9H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDCYFVSWMRKNBJH-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.05
Rot. Bonds8

About N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide

N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide (PubChem CID 23857785) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide
PubChem CID23857785
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide
SMILESCCOc1cc(NC(=O)C2CCCCC2)c(OCC)cc1NC(=O)c1cnccn1
InChIInChI=1S/C22H28N4O4/c1-3-29-19-13-17(26-22(28)18-14-23-10-11-24-18)20(30-4-2)12-16(19)25-21(27)15-8-6-5-7-9-15/h10-15H,3-9H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDCYFVSWMRKNBJH-UHFFFAOYSA-N
XLogP4.05
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-diethoxyphenyl)pyrazine-2-carboxamide
CID 862102
N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
CID 647090
N-[4-(3-chloropropanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 3173030
N-(3,4-diethoxyphenyl)pyrazine-2-carboxamide
CID 4882744
N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 1428132
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
N'-(cyclopropanecarbonyl)pyrazine-2-carbohydrazide
CID 34260535
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazine-2-carboxamide
CID 1452900
4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109217163
N-[2,5-diethoxy-4-(3-ethoxypropylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 3186775
N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide
CID 19207017
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide (CID 23857785) is N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide is CCOc1cc(NC(=O)C2CCCCC2)c(OCC)cc1NC(=O)c1cnccn1.
What is the InChIKey of N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide?
The InChIKey is DCYFVSWMRKNBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-3-29-19-13-17(26-22(28)18-14-23-10-11-24-18)20(30-4-2)12-16(19)25-21(27)15-8-6-5-7-9-15/h10-15H,3-9H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide?
N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexanecarbonylamino)-2,5-diethoxyphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 23857785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).