1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide

C19H19N5O — CID 99814095

IUPAC1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(c2cc(C)c(C#N)c3nc4ccccc4n23)C1
InChIInChI=1S/C19H19N5O/c1-3-21-19(25)13-10-23(11-13)17-8-12(2)14(9-20)18-22-15-6-4-5-7-16(15)24(17)18/h4-8,13H,3,10-11H2,1-2H3,(H,21,25)
InChIKeyINXAODQTUPRSAA-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.24
Rot. Bonds3

About 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide

1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide (PubChem CID 99814095) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide
PubChem CID99814095
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(c2cc(C)c(C#N)c3nc4ccccc4n23)C1
InChIInChI=1S/C19H19N5O/c1-3-21-19(25)13-10-23(11-13)17-8-12(2)14(9-20)18-22-15-6-4-5-7-16(15)24(17)18/h4-8,13H,3,10-11H2,1-2H3,(H,21,25)
InChIKeyINXAODQTUPRSAA-UHFFFAOYSA-N
XLogP2.24
TPSA73.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide?
The IUPAC name of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide (CID 99814095) is 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide?
The canonical SMILES for 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide is CCNC(=O)C1CN(c2cc(C)c(C#N)c3nc4ccccc4n23)C1.
What is the InChIKey of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide?
The InChIKey is INXAODQTUPRSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-3-21-19(25)13-10-23(11-13)17-8-12(2)14(9-20)18-22-15-6-4-5-7-16(15)24(17)18/h4-8,13H,3,10-11H2,1-2H3,(H,21,25).
What are the key properties of 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide?
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide is sourced from PubChem (CID 99814095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).