6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide

C21H19ClN2O2 — CID 46456887

IUPAC6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(COCc2ccccc2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C21H19ClN2O2/c22-20-11-10-19(13-23-20)21(25)24-12-16-6-8-18(9-7-16)15-26-14-17-4-2-1-3-5-17/h1-11,13H,12,14-15H2,(H,24,25)
InChIKeyJYSJIOREPXDGIK-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.38
Rot. Bonds7

About 6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide

6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 46456887) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID46456887
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(COCc2ccccc2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C21H19ClN2O2/c22-20-11-10-19(13-23-20)21(25)24-12-16-6-8-18(9-7-16)15-26-14-17-4-2-1-3-5-17/h1-11,13H,12,14-15H2,(H,24,25)
InChIKeyJYSJIOREPXDGIK-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.38
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

1-benzyl-3-[(6-chloropyridine-3-carbonyl)amino]thiourea
CID 26837626
6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 110902455
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 24903449
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694329
[4-(phenylcarbamoyl)phenyl]methyl 6-chloropyridine-3-carboxylate
CID 8017399
6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55845607
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
(4-phenylphenyl)methyl 6-chloropyridine-3-carboxylate
CID 18225999

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide (CID 46456887) is 6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(COCc2ccccc2)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is JYSJIOREPXDGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-20-11-10-19(13-23-20)21(25)24-12-16-6-8-18(9-7-16)15-26-14-17-4-2-1-3-5-17/h1-11,13H,12,14-15H2,(H,24,25).
What are the key properties of 6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46456887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).