N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide

C18H19N5O2 — CID 59280161

IUPACN-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1
InChIInChI=1S/C18H19N5O2/c1-18(2,3)22-16(24)13-6-7-15(20-10-13)23-17(25)14(11-21-23)12-5-4-8-19-9-12/h4-11,21H,1-3H3,(H,22,24)
InChIKeyCRSFIRRXKILWOY-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.15
Rot. Bonds3

About N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide

N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide (PubChem CID 59280161) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide
PubChem CID59280161
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1
InChIInChI=1S/C18H19N5O2/c1-18(2,3)22-16(24)13-6-7-15(20-10-13)23-17(25)14(11-21-23)12-5-4-8-19-9-12/h4-11,21H,1-3H3,(H,22,24)
InChIKeyCRSFIRRXKILWOY-UHFFFAOYSA-N
XLogP2.15
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide (CID 59280161) is N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1.
What is the InChIKey of N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide?
The InChIKey is CRSFIRRXKILWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-18(2,3)22-16(24)13-6-7-15(20-10-13)23-17(25)14(11-21-23)12-5-4-8-19-9-12/h4-11,21H,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide?
N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 59280161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).