2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide

C22H16Cl2N4O2 — CID 4091148

IUPAC2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cnn(-c3ccc(NC(=O)c4cc(Cl)nc(Cl)c4)cc3)c2)cc1
InChIInChI=1S/C22H16Cl2N4O2/c1-30-19-8-2-14(3-9-19)16-12-25-28(13-16)18-6-4-17(5-7-18)26-22(29)15-10-20(23)27-21(24)11-15/h2-13H,1H3,(H,26,29)
InChIKeyRBNJKVKKFBAJNH-UHFFFAOYSA-N
MW439.30 g/mol
LogP5.50
Rot. Bonds5

About 2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide

2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 4091148) has the molecular formula C22H16Cl2N4O2 and a molecular weight of 439.30 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
PubChem CID4091148
Molecular FormulaC22H16Cl2N4O2
Molecular Weight439.30 g/mol
Exact Mass438.07
IUPAC Name2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cnn(-c3ccc(NC(=O)c4cc(Cl)nc(Cl)c4)cc3)c2)cc1
InChIInChI=1S/C22H16Cl2N4O2/c1-30-19-8-2-14(3-9-19)16-12-25-28(13-16)18-6-4-17(5-7-18)26-22(29)15-10-20(23)27-21(24)11-15/h2-13H,1H3,(H,26,29)
InChIKeyRBNJKVKKFBAJNH-UHFFFAOYSA-N
XLogP5.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
CID 35761483
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
2-chloro-6-methoxy-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 84580985
4-chloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 4149169
2-chloro-6-(ethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 62171252
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
CID 26098317
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)pyrazole-4-carboxamide
CID 46488849
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 35275522
4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 3676782
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29097837

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide (CID 4091148) is 2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide is COc1ccc(-c2cnn(-c3ccc(NC(=O)c4cc(Cl)nc(Cl)c4)cc3)c2)cc1.
What is the InChIKey of 2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is RBNJKVKKFBAJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O2/c1-30-19-8-2-14(3-9-19)16-12-25-28(13-16)18-6-4-17(5-7-18)26-22(29)15-10-20(23)27-21(24)11-15/h2-13H,1H3,(H,26,29).
What are the key properties of 2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 439.30 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 4091148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).