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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Related Compounds

N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide
CID 102872235
N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide
CID 79115416
(5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472239
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106626904
1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea
CID 96526448
N-[(4S)-azepan-4-yl]-5-chloro-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 129474225
6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54995273
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide
CID 116651594
3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 95972891
5-chloro-N-phenacylpyridine-2-carboxamide
CID 64991922
N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide
CID 113274731

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).