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

C22H25ClN2O3 — CID 11951124

IUPAC5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H25ClN2O3/c23-17-9-7-15(8-10-17)18-11-16(12-24-22(18)28-13-14-5-6-14)21(27)25-19-3-1-2-4-20(19)26/h7-12,14,19-20,26H,1-6,13H2,(H,25,27)/t19-,20-/m1/s1
InChIKeyIRNGVYZGPNAVHN-WOJBJXKFSA-N
MW400.91 g/mol
LogP4.22
Rot. Bonds6

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

5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (PubChem CID 11951124) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
PubChem CID11951124
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H25ClN2O3/c23-17-9-7-15(8-10-17)18-11-16(12-24-22(18)28-13-14-5-6-14)21(27)25-19-3-1-2-4-20(19)26/h7-12,14,19-20,26H,1-6,13H2,(H,25,27)/t19-,20-/m1/s1
InChIKeyIRNGVYZGPNAVHN-WOJBJXKFSA-N
XLogP4.22
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (CID 11951124) is 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The InChIKey is IRNGVYZGPNAVHN-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c23-17-9-7-15(8-10-17)18-11-16(12-24-22(18)28-13-14-5-6-14)21(27)25-19-3-1-2-4-20(19)26/h7-12,14,19-20,26H,1-6,13H2,(H,25,27)/t19-,20-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(cyclopropylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 11951124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).