3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide

C20H16Cl2N2O2 — CID 46523092

IUPAC3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2nc(Cl)ccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C20H16Cl2N2O2/c1-26-15-9-7-14(8-10-15)18(13-5-3-2-4-6-13)24-20(25)19-16(21)11-12-17(22)23-19/h2-12,18H,1H3,(H,24,25)
InChIKeyMGDKRCFJHOYBOL-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.92
Rot. Bonds5

About 3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide

3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide (PubChem CID 46523092) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is 3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
PubChem CID46523092
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2nc(Cl)ccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C20H16Cl2N2O2/c1-26-15-9-7-14(8-10-15)18(13-5-3-2-4-6-13)24-20(25)19-16(21)11-12-17(22)23-19/h2-12,18H,1H3,(H,24,25)
InChIKeyMGDKRCFJHOYBOL-UHFFFAOYSA-N
XLogP4.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.92
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

2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide
CID 52786837
3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
CID 42924153
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
CID 55875751
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide (CID 46523092) is 3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide is COc1ccc(C(NC(=O)c2nc(Cl)ccc2Cl)c2ccccc2)cc1.
What is the InChIKey of 3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide?
The InChIKey is MGDKRCFJHOYBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c1-26-15-9-7-14(8-10-15)18(13-5-3-2-4-6-13)24-20(25)19-16(21)11-12-17(22)23-19/h2-12,18H,1H3,(H,24,25).
What are the key properties of 3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide?
3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide is sourced from PubChem (CID 46523092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).