N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide

C21H24N4O3 — CID 55523156

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(-n3cccn3)nc2)cc1OCC
InChIInChI=1S/C21H24N4O3/c1-4-27-18-9-7-16(13-19(18)28-5-2)15(3)24-21(26)17-8-10-20(22-14-17)25-12-6-11-23-25/h6-15H,4-5H2,1-3H3,(H,24,26)
InChIKeyDCKPPXPAFAHVIT-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.56
Rot. Bonds8

About N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 55523156) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID55523156
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(-n3cccn3)nc2)cc1OCC
InChIInChI=1S/C21H24N4O3/c1-4-27-18-9-7-16(13-19(18)28-5-2)15(3)24-21(26)17-8-10-20(22-14-17)25-12-6-11-23-25/h6-15H,4-5H2,1-3H3,(H,24,26)
InChIKeyDCKPPXPAFAHVIT-UHFFFAOYSA-N
XLogP3.56
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 42939102
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 33142762
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020364
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
CID 46415111
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 18166861
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 55523156) is N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide is CCOc1ccc(C(C)NC(=O)c2ccc(-n3cccn3)nc2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is DCKPPXPAFAHVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-27-18-9-7-16(13-19(18)28-5-2)15(3)24-21(26)17-8-10-20(22-14-17)25-12-6-11-23-25/h6-15H,4-5H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55523156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).