N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C17H20N6O — CID 56784410

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cncc(C(=O)Nc3cc(C(C)(C)C)[nH]n3)c2)cn1
InChIInChI=1S/C17H20N6O/c1-17(2,3)14-6-15(22-21-14)20-16(24)12-5-11(7-18-8-12)13-9-19-23(4)10-13/h5-10H,1-4H3,(H2,20,21,22,24)
InChIKeyHGNKOJXIMZNOMP-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.76
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 56784410) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID56784410
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cncc(C(=O)Nc3cc(C(C)(C)C)[nH]n3)c2)cn1
InChIInChI=1S/C17H20N6O/c1-17(2,3)14-6-15(22-21-14)20-16(24)12-5-11(7-18-8-12)13-9-19-23(4)10-13/h5-10H,1-4H3,(H2,20,21,22,24)
InChIKeyHGNKOJXIMZNOMP-UHFFFAOYSA-N
XLogP2.76
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 56784410) is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cncc(C(=O)Nc3cc(C(C)(C)C)[nH]n3)c2)cn1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is HGNKOJXIMZNOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-17(2,3)14-6-15(22-21-14)20-16(24)12-5-11(7-18-8-12)13-9-19-23(4)10-13/h5-10H,1-4H3,(H2,20,21,22,24).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 56784410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).