4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C19H25N5O — CID 122159214

IUPAC4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)C1=CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1
InChIInChI=1S/C19H25N5O/c1-19(2,3)15-8-12-23(13-9-15)18(25)22-17-7-11-21-24(17)14-16-6-4-5-10-20-16/h4-8,10-11H,9,12-14H2,1-3H3,(H,22,25)
InChIKeyOSOIOJJXJWLUOF-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.54
Rot. Bonds3

About 4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 122159214) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID122159214
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)C1=CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1
InChIInChI=1S/C19H25N5O/c1-19(2,3)15-8-12-23(13-9-15)18(25)22-17-7-11-21-24(17)14-16-6-4-5-10-20-16/h4-8,10-11H,9,12-14H2,1-3H3,(H,22,25)
InChIKeyOSOIOJJXJWLUOF-UHFFFAOYSA-N
XLogP3.54
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 122159214) is 4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)(C)C1=CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is OSOIOJJXJWLUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-19(2,3)15-8-12-23(13-9-15)18(25)22-17-7-11-21-24(17)14-16-6-4-5-10-20-16/h4-8,10-11H,9,12-14H2,1-3H3,(H,22,25).
What are the key properties of 4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 122159214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).