N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide

C21H19ClN2O2 — CID 18387292

IUPACN-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
SMILESO=C(c1c(-c2ccccc2)ccnc1Cl)N(CCO)Cc1ccccc1
InChIInChI=1S/C21H19ClN2O2/c22-20-19(18(11-12-23-20)17-9-5-2-6-10-17)21(26)24(13-14-25)15-16-7-3-1-4-8-16/h1-12,25H,13-15H2
InChIKeyXBPHINFGKHPNNA-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.04
Rot. Bonds6

About N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide

N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide (PubChem CID 18387292) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
PubChem CID18387292
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC NameN-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
SMILESO=C(c1c(-c2ccccc2)ccnc1Cl)N(CCO)Cc1ccccc1
InChIInChI=1S/C21H19ClN2O2/c22-20-19(18(11-12-23-20)17-9-5-2-6-10-17)21(26)24(13-14-25)15-16-7-3-1-4-8-16/h1-12,25H,13-15H2
InChIKeyXBPHINFGKHPNNA-UHFFFAOYSA-N
XLogP4.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387334
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387224
N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 78839583
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78795967
N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-4-phenylpyridine-3-carboxamide
CID 77087747
3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 110886937
N-benzyl-N-(2-hydroxyethyl)-2-(2-phenylphenoxy)acetamide
CID 78796373
N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110886500
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-N-(2-hydroxyethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 78855254
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide (CID 18387292) is N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide is O=C(c1c(-c2ccccc2)ccnc1Cl)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide?
The InChIKey is XBPHINFGKHPNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-20-19(18(11-12-23-20)17-9-5-2-6-10-17)21(26)24(13-14-25)15-16-7-3-1-4-8-16/h1-12,25H,13-15H2.
What are the key properties of N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide?
N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 18387292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).