5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide

C13H14Cl2N4O — CID 115888256

IUPAC5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N4O/c1-3-11-9(7-19(2)18-11)6-17-13(20)8-4-10(14)12(15)16-5-8/h4-5,7H,3,6H2,1-2H3,(H,17,20)
InChIKeyOGUDHNOKHORPFE-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.61
Rot. Bonds4

About 5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide

5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 115888256) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID115888256
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N4O/c1-3-11-9(7-19(2)18-11)6-17-13(20)8-4-10(14)12(15)16-5-8/h4-5,7H,3,6H2,1-2H3,(H,17,20)
InChIKeyOGUDHNOKHORPFE-UHFFFAOYSA-N
XLogP2.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.61
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

5-chloro-6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133444908
2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide
CID 115888738
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 115991703
2-amino-4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988889
2,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103898822
2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 115888757
4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988977
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
3-chloro-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 115991762
4-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671937
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 115887135

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 115888256) is 5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide is CCc1nn(C)cc1CNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OGUDHNOKHORPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-3-11-9(7-19(2)18-11)6-17-13(20)8-4-10(14)12(15)16-5-8/h4-5,7H,3,6H2,1-2H3,(H,17,20).
What are the key properties of 5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 115888256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).