3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide

C18H18N4O — CID 91773190

IUPAC3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)c1ccccc1-n1cccn1
InChIInChI=1S/C18H18N4O/c1-13-7-5-10-19-17(13)18(23)21-14(2)15-8-3-4-9-16(15)22-12-6-11-20-22/h3-12,14H,1-2H3,(H,21,23)
InChIKeyLINKWPLTHXOYRD-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.07
Rot. Bonds4

About 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide

3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 91773190) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID91773190
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(C)c1ccccc1-n1cccn1
InChIInChI=1S/C18H18N4O/c1-13-7-5-10-19-17(13)18(23)21-14(2)15-8-3-4-9-16(15)22-12-6-11-20-22/h3-12,14H,1-2H3,(H,21,23)
InChIKeyLINKWPLTHXOYRD-UHFFFAOYSA-N
XLogP3.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide (CID 91773190) is 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide is Cc1cccnc1C(=O)NC(C)c1ccccc1-n1cccn1.
What is the InChIKey of 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is LINKWPLTHXOYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-7-5-10-19-17(13)18(23)21-14(2)15-8-3-4-9-16(15)22-12-6-11-20-22/h3-12,14H,1-2H3,(H,21,23).
What are the key properties of 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide?
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 91773190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).