3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide

C17H19ClN2O2 — CID 97099338

IUPAC3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccncc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-3-20(17(22)14-8-9-19-10-15(14)18)11-16(21)13-6-4-12(2)5-7-13/h4-10,16,21H,3,11H2,1-2H3/t16-/m0/s1
InChIKeyRZCQVAQXJBLDHL-INIZCTEOSA-N
MW318.80 g/mol
LogP3.24
Rot. Bonds5

About 3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide

3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 97099338) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID97099338
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccncc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-3-20(17(22)14-8-9-19-10-15(14)18)11-16(21)13-6-4-12(2)5-7-13/h4-10,16,21H,3,11H2,1-2H3/t16-/m0/s1
InChIKeyRZCQVAQXJBLDHL-INIZCTEOSA-N
XLogP3.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 111758403
4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 119186471
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
CID 66464783
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 111758398
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide (CID 97099338) is 3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide is CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is RZCQVAQXJBLDHL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-20(17(22)14-8-9-19-10-15(14)18)11-16(21)13-6-4-12(2)5-7-13/h4-10,16,21H,3,11H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide?
3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 97099338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).