N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide

C25H24N4O2 — CID 55723951

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)c3cccnc3Oc3ccccc3)cc2)n1
InChIInChI=1S/C25H24N4O2/c1-18-17-19(2)29(28-18)21-12-10-20(11-13-21)14-16-26-24(30)23-9-6-15-27-25(23)31-22-7-4-3-5-8-22/h3-13,15,17H,14,16H2,1-2H3,(H,26,30)
InChIKeyMKPMZWXOHVLQBB-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.65
Rot. Bonds7

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide (PubChem CID 55723951) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide
PubChem CID55723951
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)c3cccnc3Oc3ccccc3)cc2)n1
InChIInChI=1S/C25H24N4O2/c1-18-17-19(2)29(28-18)21-12-10-20(11-13-21)14-16-26-24(30)23-9-6-15-27-25(23)31-22-7-4-3-5-8-22/h3-13,15,17H,14,16H2,1-2H3,(H,26,30)
InChIKeyMKPMZWXOHVLQBB-UHFFFAOYSA-N
XLogP4.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 46476246
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 46476583
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide
CID 55889564
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55707132
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 55707242
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55707299
(2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide
CID 94641301
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55723880
N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10295933

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide (CID 55723951) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(CCNC(=O)c3cccnc3Oc3ccccc3)cc2)n1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide?
The InChIKey is MKPMZWXOHVLQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18-17-19(2)29(28-18)21-12-10-20(11-13-21)14-16-26-24(30)23-9-6-15-27-25(23)31-22-7-4-3-5-8-22/h3-13,15,17H,14,16H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 55723951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).