N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide

C14H18N4O2 — CID 53184912

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1ccnn1CC
InChIInChI=1S/C14H18N4O2/c1-3-18-12(7-9-17-18)13(19)16-10-11-6-5-8-15-14(11)20-4-2/h5-9H,3-4,10H2,1-2H3,(H,16,19)
InChIKeyWMWYZHGYSMOFPY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.63
Rot. Bonds6

About N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 53184912) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
PubChem CID53184912
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1ccnn1CC
InChIInChI=1S/C14H18N4O2/c1-3-18-12(7-9-17-18)13(19)16-10-11-6-5-8-15-14(11)20-4-2/h5-9H,3-4,10H2,1-2H3,(H,16,19)
InChIKeyWMWYZHGYSMOFPY-UHFFFAOYSA-N
XLogP1.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide
CID 30832500
3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 38539806
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbutanamide
CID 97151638
N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 38538666
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide (CID 53184912) is N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide is CCOc1ncccc1CNC(=O)c1ccnn1CC.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is WMWYZHGYSMOFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-18-12(7-9-17-18)13(19)16-10-11-6-5-8-15-14(11)20-4-2/h5-9H,3-4,10H2,1-2H3,(H,16,19).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 53184912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).