5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide

C17H17ClN2O2 — CID 97237339

IUPAC5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide
SMILESO=C(c1ccc(Cl)cn1)N(C[C@H](O)c1ccccc1)C1CC1
InChIInChI=1S/C17H17ClN2O2/c18-13-6-9-15(19-10-13)17(22)20(14-7-8-14)11-16(21)12-4-2-1-3-5-12/h1-6,9-10,14,16,21H,7-8,11H2/t16-/m0/s1
InChIKeyUPXWUWAEAZOEOP-INIZCTEOSA-N
MW316.79 g/mol
LogP3.07
Rot. Bonds5

About 5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide

5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide (PubChem CID 97237339) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide
PubChem CID97237339
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide
SMILESO=C(c1ccc(Cl)cn1)N(C[C@H](O)c1ccccc1)C1CC1
InChIInChI=1S/C17H17ClN2O2/c18-13-6-9-15(19-10-13)17(22)20(14-7-8-14)11-16(21)12-4-2-1-3-5-12/h1-6,9-10,14,16,21H,7-8,11H2/t16-/m0/s1
InChIKeyUPXWUWAEAZOEOP-INIZCTEOSA-N
XLogP3.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide (CID 97237339) is 5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide is O=C(c1ccc(Cl)cn1)N(C[C@H](O)c1ccccc1)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide?
The InChIKey is UPXWUWAEAZOEOP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-13-6-9-15(19-10-13)17(22)20(14-7-8-14)11-16(21)12-4-2-1-3-5-12/h1-6,9-10,14,16,21H,7-8,11H2/t16-/m0/s1.
What are the key properties of 5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide?
5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 97237339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).