6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide

C17H13N5O2 — CID 164613028

IUPAC6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccn3c(n2)nc2ccccc23)cn1
InChIInChI=1S/C17H13N5O2/c1-24-15-7-6-11(10-18-15)16(23)20-14-8-9-22-13-5-3-2-4-12(13)19-17(22)21-14/h2-10H,1H3,(H,19,20,21,23)
InChIKeyPXOQSHMGSJMPCW-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.54
Rot. Bonds3

About 6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide

6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide (PubChem CID 164613028) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide
PubChem CID164613028
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccn3c(n2)nc2ccccc23)cn1
InChIInChI=1S/C17H13N5O2/c1-24-15-7-6-11(10-18-15)16(23)20-14-8-9-22-13-5-3-2-4-12(13)19-17(22)21-14/h2-10H,1H3,(H,19,20,21,23)
InChIKeyPXOQSHMGSJMPCW-UHFFFAOYSA-N
XLogP2.54
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide (CID 164613028) is 6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccn3c(n2)nc2ccccc23)cn1.
What is the InChIKey of 6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide?
The InChIKey is PXOQSHMGSJMPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-24-15-7-6-11(10-18-15)16(23)20-14-8-9-22-13-5-3-2-4-12(13)19-17(22)21-14/h2-10H,1H3,(H,19,20,21,23).
What are the key properties of 6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide?
6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-pyrimido[1,2-a]benzimidazol-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 164613028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).