6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide

C23H28ClN3O3 — CID 86616971

IUPAC6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CCCC2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H28ClN3O3/c24-17-11-9-16(10-12-17)21-23(30-14-15-5-1-2-6-15)25-13-19(26-21)22(29)27-18-7-3-4-8-20(18)28/h9-13,15,18,20,28H,1-8,14H2,(H,27,29)/t18-,20-/m1/s1
InChIKeyBYDRYHFMJJABBK-UYAOXDASSA-N
MW429.95 g/mol
LogP4.40
Rot. Bonds6

About 6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide

6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide (PubChem CID 86616971) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
PubChem CID86616971
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CCCC2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H28ClN3O3/c24-17-11-9-16(10-12-17)21-23(30-14-15-5-1-2-6-15)25-13-19(26-21)22(29)27-18-7-3-4-8-20(18)28/h9-13,15,18,20,28H,1-8,14H2,(H,27,29)/t18-,20-/m1/s1
InChIKeyBYDRYHFMJJABBK-UYAOXDASSA-N
XLogP4.40
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
CID 11385186
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104927278
N-[(1R,2R)-2-hydroxycyclohexyl]-5-(pyrimidin-4-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 68837850
5-(4-azido-3-chlorophenyl)-6-(cyclopropylmethoxy)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 137036746
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
tert-butyl 5,6-bis(4-chlorophenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]pyrazine-2-carboxylate
CID 11444117
6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 21109644
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
methyl 2-[[6-(3-chlorophenyl)-5-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3-methylbutanoate
CID 68567971
5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505139
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 24856919

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide (CID 86616971) is 6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CCCC2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide?
The InChIKey is BYDRYHFMJJABBK-UYAOXDASSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c24-17-11-9-16(10-12-17)21-23(30-14-15-5-1-2-6-15)25-13-19(26-21)22(29)27-18-7-3-4-8-20(18)28/h9-13,15,18,20,28H,1-8,14H2,(H,27,29)/t18-,20-/m1/s1.
What are the key properties of 6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide?
6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 86616971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).