N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C20H24N6O — CID 139007809

IUPACN-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cncc(C(=O)Nc3cc(C4CCCCC4)nn3C)c2)cn1
InChIInChI=1S/C20H24N6O/c1-25-13-17(12-22-25)15-8-16(11-21-10-15)20(27)23-19-9-18(24-26(19)2)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,27)
InChIKeyHBNRGWSELZGUAX-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.52
Rot. Bonds4

About N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 139007809) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID139007809
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cncc(C(=O)Nc3cc(C4CCCCC4)nn3C)c2)cn1
InChIInChI=1S/C20H24N6O/c1-25-13-17(12-22-25)15-8-16(11-21-10-15)20(27)23-19-9-18(24-26(19)2)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,27)
InChIKeyHBNRGWSELZGUAX-UHFFFAOYSA-N
XLogP3.52
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 139007809) is N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cncc(C(=O)Nc3cc(C4CCCCC4)nn3C)c2)cn1.
What is the InChIKey of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is HBNRGWSELZGUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-25-13-17(12-22-25)15-8-16(11-21-10-15)20(27)23-19-9-18(24-26(19)2)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,27).
What are the key properties of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 139007809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).