N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen

C24H32N4O3 — CID 176983546

IUPACN-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
SMILESCOc1cc(OC2C(C)(C)C(NC(=O)c3cnc(C(C)C)cn3)C2(C)C)ccc1C#N.[H][H]
InChIInChI=1S/C24H30N4O3.H2/c1-14(2)17-12-27-18(13-26-17)20(29)28-21-23(3,4)22(24(21,5)6)31-16-9-8-15(11-25)19(10-16)30-7;/h8-10,12-14,21-22H,1-7H3,(H,28,29);1H
InChIKeyDPBUZNUTICBGOV-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.34
Rot. Bonds6

About N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen

N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 176983546) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID176983546
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
SMILESCOc1cc(OC2C(C)(C)C(NC(=O)c3cnc(C(C)C)cn3)C2(C)C)ccc1C#N.[H][H]
InChIInChI=1S/C24H30N4O3.H2/c1-14(2)17-12-27-18(13-26-17)20(29)28-21-23(3,4)22(24(21,5)6)31-16-9-8-15(11-25)19(10-16)30-7;/h8-10,12-14,21-22H,1-7H3,(H,28,29);1H
InChIKeyDPBUZNUTICBGOV-UHFFFAOYSA-N
XLogP4.34
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176982690
N-[3-(4-cyano-3-ethoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 176983973
N-[[5-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]pyrazin-2-yl]methyl]-2-methoxy-4-[2,2,4,4-tetramethyl-3-[(6-methylpyridazine-3-carbonyl)amino]cyclobutyl]oxybenzonitrilium
CID 163267630
N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985768
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985777
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxamide
CID 176984238
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-methylpiperidin-1-yl)benzamide
CID 170683290
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(9-hydroxyspiro[5.5]undecan-3-yl)oxybenzamide
CID 176982866
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-methylpyrimidine-5-carboxamide
CID 170392060
N-[3-(4-cyano-2,3-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 177123129
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)benzamide
CID 176984078
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]methyl]piperidin-1-yl]benzamide
CID 175838783

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen (CID 176983546) is N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen is COc1cc(OC2C(C)(C)C(NC(=O)c3cnc(C(C)C)cn3)C2(C)C)ccc1C#N.[H][H].
What is the InChIKey of N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is DPBUZNUTICBGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3.H2/c1-14(2)17-12-27-18(13-26-17)20(29)28-21-23(3,4)22(24(21,5)6)31-16-9-8-15(11-25)19(10-16)30-7;/h8-10,12-14,21-22H,1-7H3,(H,28,29);1H.
What are the key properties of N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen?
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 424.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 176983546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).