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

C11H10Cl2N4O — CID 82882213

IUPAC2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCn1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N4O/c1-17-3-2-8(16-17)6-14-11(18)7-4-9(12)15-10(13)5-7/h2-5H,6H2,1H3,(H,14,18)
InChIKeyYFMNVVLTVHTZIM-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.05
Rot. Bonds3

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

2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 82882213) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID82882213
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCn1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N4O/c1-17-3-2-8(16-17)6-14-11(18)7-4-9(12)15-10(13)5-7/h2-5H,6H2,1H3,(H,14,18)
InChIKeyYFMNVVLTVHTZIM-UHFFFAOYSA-N
XLogP2.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.05
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-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82874567
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872719
2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103877808
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 175833533
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19329156
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide (CID 82882213) is 2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide is Cn1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)n1.
What is the InChIKey of 2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is YFMNVVLTVHTZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-17-3-2-8(16-17)6-14-11(18)7-4-9(12)15-10(13)5-7/h2-5H,6H2,1H3,(H,14,18).
What are the key properties of 2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 82882213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).