5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide

C26H27ClN2O3 — CID 11952022

IUPAC5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1O)c1cnc(OCc2ccccc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H27ClN2O3/c27-22-12-10-19(11-13-22)23-14-21(25(31)28-15-20-8-4-5-9-24(20)30)16-29-26(23)32-17-18-6-2-1-3-7-18/h1-3,6-7,10-14,16,20,24,30H,4-5,8-9,15,17H2,(H,28,31)
InChIKeyXADPBUZUBJJMST-UHFFFAOYSA-N
MW450.97 g/mol
LogP5.26
Rot. Bonds7

About 5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide (PubChem CID 11952022) has the molecular formula C26H27ClN2O3 and a molecular weight of 450.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide
PubChem CID11952022
Molecular FormulaC26H27ClN2O3
Molecular Weight450.97 g/mol
Exact Mass450.17
IUPAC Name5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1O)c1cnc(OCc2ccccc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H27ClN2O3/c27-22-12-10-19(11-13-22)23-14-21(25(31)28-15-20-8-4-5-9-24(20)30)16-29-26(23)32-17-18-6-2-1-3-7-18/h1-3,6-7,10-14,16,20,24,30H,4-5,8-9,15,17H2,(H,28,31)
InChIKeyXADPBUZUBJJMST-UHFFFAOYSA-N
XLogP5.26
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide (CID 11952022) is 5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide is O=C(NCC1CCCCC1O)c1cnc(OCc2ccccc2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide?
The InChIKey is XADPBUZUBJJMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3/c27-22-12-10-19(11-13-22)23-14-21(25(31)28-15-20-8-4-5-9-24(20)30)16-29-26(23)32-17-18-6-2-1-3-7-18/h1-3,6-7,10-14,16,20,24,30H,4-5,8-9,15,17H2,(H,28,31).
What are the key properties of 5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide has a molecular weight of 450.97 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 11952022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).