N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide

C16H18ClN3O2 — CID 110888066

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H18ClN3O2/c1-20(2)15-8-5-12(9-18-15)16(22)19-10-14(21)11-3-6-13(17)7-4-11/h3-9,14,21H,10H2,1-2H3,(H,19,22)
InChIKeyMGVZNALLENQBOV-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide (PubChem CID 110888066) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide
PubChem CID110888066
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H18ClN3O2/c1-20(2)15-8-5-12(9-18-15)16(22)19-10-14(21)11-3-6-13(17)7-4-11/h3-9,14,21H,10H2,1-2H3,(H,19,22)
InChIKeyMGVZNALLENQBOV-UHFFFAOYSA-N
XLogP2.26
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
CID 110885502
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
N-(3-amino-2-methylpropyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119996612
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide
CID 111477067
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 94179490
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide (CID 110888066) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is MGVZNALLENQBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-20(2)15-8-5-12(9-18-15)16(22)19-10-14(21)11-3-6-13(17)7-4-11/h3-9,14,21H,10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 110888066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).