3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide

C21H21N5O2 — CID 97446919

IUPAC3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide
SMILESCOCCn1cnc(-c2cc(C(=O)NCc3cccnc3)c3ccccn23)c1
InChIInChI=1S/C21H21N5O2/c1-28-10-9-25-14-18(24-15-25)20-11-17(19-6-2-3-8-26(19)20)21(27)23-13-16-5-4-7-22-12-16/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,23,27)
InChIKeyHYOGLQJHGWNHFF-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.77
Rot. Bonds7

About 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide

3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide (PubChem CID 97446919) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide
PubChem CID97446919
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide
SMILESCOCCn1cnc(-c2cc(C(=O)NCc3cccnc3)c3ccccn23)c1
InChIInChI=1S/C21H21N5O2/c1-28-10-9-25-14-18(24-15-25)20-11-17(19-6-2-3-8-26(19)20)21(27)23-13-16-5-4-7-22-12-16/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,23,27)
InChIKeyHYOGLQJHGWNHFF-UHFFFAOYSA-N
XLogP2.77
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-methoxyethyl)imidazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]indolizine-1-carboxamide
CID 97446920
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512
7-(methoxymethyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3903244
3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide
CID 97446740
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 25248015
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
9-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 53013788

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide?
The IUPAC name of 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide (CID 97446919) is 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide.
What is the SMILES notation for 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide?
The canonical SMILES for 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide is COCCn1cnc(-c2cc(C(=O)NCc3cccnc3)c3ccccn23)c1.
What is the InChIKey of 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide?
The InChIKey is HYOGLQJHGWNHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-28-10-9-25-14-18(24-15-25)20-11-17(19-6-2-3-8-26(19)20)21(27)23-13-16-5-4-7-22-12-16/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,23,27).
What are the key properties of 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide?
3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)imidazol-4-yl]-N-(pyridin-3-ylmethyl)indolizine-1-carboxamide is sourced from PubChem (CID 97446919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).