3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide

C17H14Cl2N4O — CID 55955040

IUPAC3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(Cn2cccn2)c1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2N4O/c18-14-5-6-15(19)22-16(14)17(24)20-10-12-3-1-4-13(9-12)11-23-8-2-7-21-23/h1-9H,10-11H2,(H,20,24)
InChIKeyCOSVSZPZKSCSHI-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.56
Rot. Bonds5

About 3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide

3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 55955040) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID55955040
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(Cn2cccn2)c1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2N4O/c18-14-5-6-15(19)22-16(14)17(24)20-10-12-3-1-4-13(9-12)11-23-8-2-7-21-23/h1-9H,10-11H2,(H,20,24)
InChIKeyCOSVSZPZKSCSHI-UHFFFAOYSA-N
XLogP3.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 60552354
1-[(2,4-dichlorophenyl)methyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 52711976
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301019
4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953897
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
2-tert-butyl-4-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 49025395
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 39516427
(2S)-2-amino-3,3-dimethyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119744700
3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954530

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide (CID 55955040) is 3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1cccc(Cn2cccn2)c1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is COSVSZPZKSCSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c18-14-5-6-15(19)22-16(14)17(24)20-10-12-3-1-4-13(9-12)11-23-8-2-7-21-23/h1-9H,10-11H2,(H,20,24).
What are the key properties of 3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide?
3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 361.23 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 55955040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).