3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide

C19H18Cl2N4O — CID 46473562

IUPAC3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C19H18Cl2N4O/c1-13-14(12-25(24-13)15-7-3-2-4-8-15)6-5-11-22-19(26)18-16(20)9-10-17(21)23-18/h2-4,7-10,12H,5-6,11H2,1H3,(H,22,26)
InChIKeyYPJIIPJOQJMALJ-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.25
Rot. Bonds6

About 3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide

3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide (PubChem CID 46473562) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
PubChem CID46473562
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C19H18Cl2N4O/c1-13-14(12-25(24-13)15-7-3-2-4-8-15)6-5-11-22-19(26)18-16(20)9-10-17(21)23-18/h2-4,7-10,12H,5-6,11H2,1H3,(H,22,26)
InChIKeyYPJIIPJOQJMALJ-UHFFFAOYSA-N
XLogP4.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 46426763
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 46426573
3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide
CID 71685784
3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 55644256
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 60511426
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55721874
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
CID 55933539
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 55719016
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46473758
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55932656

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide (CID 46473562) is 3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide?
The InChIKey is YPJIIPJOQJMALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-13-14(12-25(24-13)15-7-3-2-4-8-15)6-5-11-22-19(26)18-16(20)9-10-17(21)23-18/h2-4,7-10,12H,5-6,11H2,1H3,(H,22,26).
What are the key properties of 3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide?
3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide has a molecular weight of 389.29 g/mol, XLogP of 4.25, 6 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-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 46473562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).