5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide

C12H12Cl2N4O — CID 112684462

IUPAC5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c13-10-7-9(8-16-11(10)14)12(19)15-3-1-5-18-6-2-4-17-18/h2,4,6-8H,1,3,5H2,(H,15,19)
InChIKeyNBAHIQRFUVPMJG-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.40
Rot. Bonds5

About 5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide

5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 112684462) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
PubChem CID112684462
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c13-10-7-9(8-16-11(10)14)12(19)15-3-1-5-18-6-2-4-17-18/h2,4,6-8H,1,3,5H2,(H,15,19)
InChIKeyNBAHIQRFUVPMJG-UHFFFAOYSA-N
XLogP2.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.40
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-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 113347114
4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112701067
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37392929
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19479469
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 60635904
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393942
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide (CID 112684462) is 5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide is O=C(NCCCn1cccn1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is NBAHIQRFUVPMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c13-10-7-9(8-16-11(10)14)12(19)15-3-1-5-18-6-2-4-17-18/h2,4,6-8H,1,3,5H2,(H,15,19).
What are the key properties of 5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 2.40, 5 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-pyrazol-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 112684462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).