2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide

C18H18N4O2 — CID 165415154

IUPAC2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2ccccn2)nn1C
InChIInChI=1S/C18H18N4O2/c1-3-24-16-10-5-4-8-13(16)18(23)20-17-12-15(21-22(17)2)14-9-6-7-11-19-14/h4-12H,3H2,1-2H3,(H,20,23)
InChIKeyNNTKMYPITKSMOD-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.13
Rot. Bonds5

About 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide

2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide (PubChem CID 165415154) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide
PubChem CID165415154
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2ccccn2)nn1C
InChIInChI=1S/C18H18N4O2/c1-3-24-16-10-5-4-8-13(16)18(23)20-17-12-15(21-22(17)2)14-9-6-7-11-19-14/h4-12H,3H2,1-2H3,(H,20,23)
InChIKeyNNTKMYPITKSMOD-UHFFFAOYSA-N
XLogP3.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
CID 140430627
15-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 142411827
4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)phenoxy)-N-methylpicolinamide
CID 11947957
(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
CID 971668
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
N-tert-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
CID 162623416
Pyrazole scaffold, 16
CID 25218470
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
4-methoxy-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145981571
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]nicotinamide
CID 2810251
3-[(2-Methoxy-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
CID 9591626
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide (CID 165415154) is 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide is CCOc1ccccc1C(=O)Nc1cc(-c2ccccn2)nn1C.
What is the InChIKey of 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
The InChIKey is NNTKMYPITKSMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-24-16-10-5-4-8-13(16)18(23)20-17-12-15(21-22(17)2)14-9-6-7-11-19-14/h4-12H,3H2,1-2H3,(H,20,23).
What are the key properties of 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide is sourced from PubChem (CID 165415154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).