5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide

C12H12Cl2N4O — CID 78968072

IUPAC5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCn1cc(CCNC(=O)c2cnc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C12H12Cl2N4O/c1-18-7-8(5-17-18)2-3-15-12(19)9-4-10(13)11(14)16-6-9/h4-7H,2-3H2,1H3,(H,15,19)
InChIKeyDPZGREHPLDCQKZ-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.09
Rot. Bonds4

About 5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide

5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 78968072) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID78968072
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCn1cc(CCNC(=O)c2cnc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C12H12Cl2N4O/c1-18-7-8(5-17-18)2-3-15-12(19)9-4-10(13)11(14)16-6-9/h4-7H,2-3H2,1H3,(H,15,19)
InChIKeyDPZGREHPLDCQKZ-UHFFFAOYSA-N
XLogP2.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.09
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-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 80686009
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-nitrobenzamide
CID 80685172
4-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 112731782
5,6-dichloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 63330415
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 43400487
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106551138
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide (CID 78968072) is 5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide is Cn1cc(CCNC(=O)c2cnc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is DPZGREHPLDCQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-18-7-8(5-17-18)2-3-15-12(19)9-4-10(13)11(14)16-6-9/h4-7H,2-3H2,1H3,(H,15,19).
What are the key properties of 5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 2.09, 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-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 78968072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).