2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide

C14H18N4O3 — CID 118771778

IUPAC2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1cccnc1OC
InChIInChI=1S/C14H18N4O3/c1-20-7-6-18-10-15-8-11(18)9-17-13(19)12-4-3-5-16-14(12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyOEQNDAHSRJYZML-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.86
Rot. Bonds7

About 2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide

2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 118771778) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
PubChem CID118771778
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1cccnc1OC
InChIInChI=1S/C14H18N4O3/c1-20-7-6-18-10-15-8-11(18)9-17-13(19)12-4-3-5-16-14(12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyOEQNDAHSRJYZML-UHFFFAOYSA-N
XLogP0.86
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide (CID 118771778) is 2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide is COCCn1cncc1CNC(=O)c1cccnc1OC.
What is the InChIKey of 2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is OEQNDAHSRJYZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-20-7-6-18-10-15-8-11(18)9-17-13(19)12-4-3-5-16-14(12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of 2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide?
2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118771778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).