6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide

C14H15ClN4O — CID 62233294

IUPAC6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C14H15ClN4O/c1-19-12-6-2-4-10(9(12)8-16-19)18-14(20)11-5-3-7-13(15)17-11/h3,5,7-8,10H,2,4,6H2,1H3,(H,18,20)
InChIKeyDUWMNWBWKNHFGG-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.28
Rot. Bonds2

About 6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide

6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide (PubChem CID 62233294) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
PubChem CID62233294
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C14H15ClN4O/c1-19-12-6-2-4-10(9(12)8-16-19)18-14(20)11-5-3-7-13(15)17-11/h3,5,7-8,10H,2,4,6H2,1H3,(H,18,20)
InChIKeyDUWMNWBWKNHFGG-UHFFFAOYSA-N
XLogP2.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.28
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

6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 115497317
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide
CID 38815166
5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide
CID 47166057
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 61213666
6-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-2-carboxamide
CID 62233683
3-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 104741380
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56731507
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 63979904
5-(4-fluorophenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 95384681
4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide
CID 55809198

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide (CID 62233294) is 6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide is Cn1ncc2c1CCCC2NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide?
The InChIKey is DUWMNWBWKNHFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-19-12-6-2-4-10(9(12)8-16-19)18-14(20)11-5-3-7-13(15)17-11/h3,5,7-8,10H,2,4,6H2,1H3,(H,18,20).
What are the key properties of 6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide?
6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62233294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).