N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide

C19H20N4O2 — CID 47068369

IUPACN-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCCOCc1cccc(CNC(=O)c2ccnc(-n3ccnc3)c2)c1
InChIInChI=1S/C19H20N4O2/c1-2-25-13-16-5-3-4-15(10-16)12-22-19(24)17-6-7-21-18(11-17)23-9-8-20-14-23/h3-11,14H,2,12-13H2,1H3,(H,22,24)
InChIKeyQTYIRXDHWRCMOL-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.73
Rot. Bonds7

About N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide

N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 47068369) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID47068369
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCCOCc1cccc(CNC(=O)c2ccnc(-n3ccnc3)c2)c1
InChIInChI=1S/C19H20N4O2/c1-2-25-13-16-5-3-4-15(10-16)12-22-19(24)17-6-7-21-18(11-17)23-9-8-20-14-23/h3-11,14H,2,12-13H2,1H3,(H,22,24)
InChIKeyQTYIRXDHWRCMOL-UHFFFAOYSA-N
XLogP2.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 51085922
N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090160
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 167917933
2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51085856
N-[[2-(difluoromethoxy)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010883
2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 87011058
2-imidazol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 51085895
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 84594593
N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109478737
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432
3-bromo-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-propoxybenzamide
CID 60526229

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide (CID 47068369) is N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide is CCOCc1cccc(CNC(=O)c2ccnc(-n3ccnc3)c2)c1.
What is the InChIKey of N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is QTYIRXDHWRCMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-25-13-16-5-3-4-15(10-16)12-22-19(24)17-6-7-21-18(11-17)23-9-8-20-14-23/h3-11,14H,2,12-13H2,1H3,(H,22,24).
What are the key properties of N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 47068369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).