5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide

C23H23ClN4O3 — CID 11950589

IUPAC5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ncccn2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H23ClN4O3/c24-17-8-6-15(7-9-17)18-12-16(22(30)28-19-4-1-2-5-20(19)29)13-27-23(18)31-14-21-25-10-3-11-26-21/h3,6-13,19-20,29H,1-2,4-5,14H2,(H,28,30)/t19-,20-/m1/s1
InChIKeyCMVAZMSVUPMZKK-WOJBJXKFSA-N
MW438.92 g/mol
LogP3.80
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide (PubChem CID 11950589) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide
PubChem CID11950589
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ncccn2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H23ClN4O3/c24-17-8-6-15(7-9-17)18-12-16(22(30)28-19-4-1-2-5-20(19)29)13-27-23(18)31-14-21-25-10-3-11-26-21/h3,6-13,19-20,29H,1-2,4-5,14H2,(H,28,30)/t19-,20-/m1/s1
InChIKeyCMVAZMSVUPMZKK-WOJBJXKFSA-N
XLogP3.80
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide (CID 11950589) is 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCc2ncccn2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is CMVAZMSVUPMZKK-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c24-17-8-6-15(7-9-17)18-12-16(22(30)28-19-4-1-2-5-20(19)29)13-27-23(18)31-14-21-25-10-3-11-26-21/h3,6-13,19-20,29H,1-2,4-5,14H2,(H,28,30)/t19-,20-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyrimidin-2-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 11950589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).