N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide

C19H20N4O2 — CID 174646542

IUPACN-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CCc1cc(NC(=O)c2ccc(C)nc2)n[nH]1
InChIInChI=1S/C19H20N4O2/c1-13-7-8-15(12-20-13)19(24)21-18-11-16(22-23-18)10-9-14-5-3-4-6-17(14)25-2/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23,24)
InChIKeyWXUZDXXESPSDJE-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.16
Rot. Bonds6

About N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide

N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide (PubChem CID 174646542) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide
PubChem CID174646542
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CCc1cc(NC(=O)c2ccc(C)nc2)n[nH]1
InChIInChI=1S/C19H20N4O2/c1-13-7-8-15(12-20-13)19(24)21-18-11-16(22-23-18)10-9-14-5-3-4-6-17(14)25-2/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23,24)
InChIKeyWXUZDXXESPSDJE-UHFFFAOYSA-N
XLogP3.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide (CID 174646542) is N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide is COc1ccccc1CCc1cc(NC(=O)c2ccc(C)nc2)n[nH]1.
What is the InChIKey of N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is WXUZDXXESPSDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-7-8-15(12-20-13)19(24)21-18-11-16(22-23-18)10-9-14-5-3-4-6-17(14)25-2/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide?
N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 174646542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).