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

C23H29N5O2 — CID 176985777

IUPACN-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
SMILESCOc1cc(N(C)C2CCC(NC(=O)c3cnc(C(C)C)cn3)CC2)ccc1C#N
InChIInChI=1S/C23H29N5O2/c1-15(2)20-13-26-21(14-25-20)23(29)27-17-6-9-18(10-7-17)28(3)19-8-5-16(12-24)22(11-19)30-4/h5,8,11,13-15,17-18H,6-7,9-10H2,1-4H3,(H,27,29)
InChIKeyIMTBCHZGGSLWFM-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.66
Rot. Bonds6

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

N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide (PubChem CID 176985777) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
PubChem CID176985777
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
SMILESCOc1cc(N(C)C2CCC(NC(=O)c3cnc(C(C)C)cn3)CC2)ccc1C#N
InChIInChI=1S/C23H29N5O2/c1-15(2)20-13-26-21(14-25-20)23(29)27-17-6-9-18(10-7-17)28(3)19-8-5-16(12-24)22(11-19)30-4/h5,8,11,13-15,17-18H,6-7,9-10H2,1-4H3,(H,27,29)
InChIKeyIMTBCHZGGSLWFM-UHFFFAOYSA-N
XLogP3.66
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 176986276
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 176986588
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide
CID 176985665
N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985768
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176983546
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
5-cyano-4-methoxy-N-piperidin-4-ylpyridine-2-carboxamide;ethane
CID 145096174
N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide
CID 176985639
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 176985888
N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide
CID 176985927
N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide
CID 170669647
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176982690

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide (CID 176985777) is N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide is COc1cc(N(C)C2CCC(NC(=O)c3cnc(C(C)C)cn3)CC2)ccc1C#N.
What is the InChIKey of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is IMTBCHZGGSLWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15(2)20-13-26-21(14-25-20)23(29)27-17-6-9-18(10-7-17)28(3)19-8-5-16(12-24)22(11-19)30-4/h5,8,11,13-15,17-18H,6-7,9-10H2,1-4H3,(H,27,29).
What are the key properties of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide?
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.66, 6 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-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 176985777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).