6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C15H12IN5O — CID 59406324

IUPAC6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cccc(-n2cc(I)cn2)n1
InChIInChI=1S/C15H12IN5O/c16-12-9-19-21(10-12)14-5-1-4-13(20-14)15(22)18-8-11-3-2-6-17-7-11/h1-7,9-10H,8H2,(H,18,22)
InChIKeyFDCJHSBJPQPHLB-UHFFFAOYSA-N
MW405.20 g/mol
LogP2.20
Rot. Bonds4

About 6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 59406324) has the molecular formula C15H12IN5O and a molecular weight of 405.20 g/mol. Its IUPAC name is 6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID59406324
Molecular FormulaC15H12IN5O
Molecular Weight405.20 g/mol
Exact Mass405.01
IUPAC Name6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cccc(-n2cc(I)cn2)n1
InChIInChI=1S/C15H12IN5O/c16-12-9-19-21(10-12)14-5-1-4-13(20-14)15(22)18-8-11-3-2-6-17-7-11/h1-7,9-10H,8H2,(H,18,22)
InChIKeyFDCJHSBJPQPHLB-UHFFFAOYSA-N
XLogP2.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094037
dicopper;methanol;bis(6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylate);dichloride;pentahydrate
CID 139158103
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098258
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
6-N-(2,6-diethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098267
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117083141
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
2-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 140605964

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 59406324) is 6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccnc1)c1cccc(-n2cc(I)cn2)n1.
What is the InChIKey of 6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is FDCJHSBJPQPHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN5O/c16-12-9-19-21(10-12)14-5-1-4-13(20-14)15(22)18-8-11-3-2-6-17-7-11/h1-7,9-10H,8H2,(H,18,22).
What are the key properties of 6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 405.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 59406324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).