N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide

C23H28N4O3 — CID 176985768

IUPACN-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
SMILESCCOc1cc(OC2CCC(NC(=O)c3cnc(C(C)C)cn3)CC2)ccc1C#N
InChIInChI=1S/C23H28N4O3/c1-4-29-22-11-19(8-5-16(22)12-24)30-18-9-6-17(7-10-18)27-23(28)21-14-25-20(13-26-21)15(2)3/h5,8,11,13-15,17-18H,4,6-7,9-10H2,1-3H3,(H,27,28)
InChIKeyRGKAYXYQKXGRRQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.99
Rot. Bonds7

About N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide

N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide (PubChem CID 176985768) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
PubChem CID176985768
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
SMILESCCOc1cc(OC2CCC(NC(=O)c3cnc(C(C)C)cn3)CC2)ccc1C#N
InChIInChI=1S/C23H28N4O3/c1-4-29-22-11-19(8-5-16(22)12-24)30-18-9-6-17(7-10-18)27-23(28)21-14-25-20(13-26-21)15(2)3/h5,8,11,13-15,17-18H,4,6-7,9-10H2,1-3H3,(H,27,28)
InChIKeyRGKAYXYQKXGRRQ-UHFFFAOYSA-N
XLogP3.99
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985777
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 176985888
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
N-[3-(4-cyano-3-ethoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 176983973
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 134414170
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176983546
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide
CID 155219255
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155218483
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176982690
N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 163268213
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[(4-methylcyclohexylidene)methyl]pyrazine-2-carboxamide
CID 166980965

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide (CID 176985768) is N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide is CCOc1cc(OC2CCC(NC(=O)c3cnc(C(C)C)cn3)CC2)ccc1C#N.
What is the InChIKey of N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is RGKAYXYQKXGRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-29-22-11-19(8-5-16(22)12-24)30-18-9-6-17(7-10-18)27-23(28)21-14-25-20(13-26-21)15(2)3/h5,8,11,13-15,17-18H,4,6-7,9-10H2,1-3H3,(H,27,28).
What are the key properties of N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide?
N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 176985768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).