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

C14H16N4O — CID 47027925

IUPACN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)c1ccccn1
InChIInChI=1S/C14H16N4O/c1-18-13-7-4-6-11(10(13)9-16-18)17-14(19)12-5-2-3-8-15-12/h2-3,5,8-9,11H,4,6-7H2,1H3,(H,17,19)
InChIKeyVQTYDLMQUBELAO-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.62
Rot. Bonds2

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

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide (PubChem CID 47027925) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
PubChem CID47027925
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)c1ccccn1
InChIInChI=1S/C14H16N4O/c1-18-13-7-4-6-11(10(13)9-16-18)17-14(19)12-5-2-3-8-15-12/h2-3,5,8-9,11H,4,6-7H2,1H3,(H,17,19)
InChIKeyVQTYDLMQUBELAO-UHFFFAOYSA-N
XLogP1.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide (CID 47027925) is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide is Cn1ncc2c1CCCC2NC(=O)c1ccccn1.
What is the InChIKey of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide?
The InChIKey is VQTYDLMQUBELAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-13-7-4-6-11(10(13)9-16-18)17-14(19)12-5-2-3-8-15-12/h2-3,5,8-9,11H,4,6-7H2,1H3,(H,17,19).
What are the key properties of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide?
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 47027925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).