8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide

C17H13N5O2 — CID 126617731

IUPAC8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)Nc3cccnc3)ccn12
InChIInChI=1S/C17H13N5O2/c1-24-12-4-5-15-14(9-12)21-17-20-13(6-8-22(15)17)16(23)19-11-3-2-7-18-10-11/h2-10H,1H3,(H,19,23)
InChIKeyNFCRVQKNXCUDGC-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.54
Rot. Bonds3

About 8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide

8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617731) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617731
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)Nc3cccnc3)ccn12
InChIInChI=1S/C17H13N5O2/c1-24-12-4-5-15-14(9-12)21-17-20-13(6-8-22(15)17)16(23)19-11-3-2-7-18-10-11/h2-10H,1H3,(H,19,23)
InChIKeyNFCRVQKNXCUDGC-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 8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617731) is 8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide is COc1ccc2c(c1)nc1nc(C(=O)Nc3cccnc3)ccn12.
What is the InChIKey of 8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is NFCRVQKNXCUDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-24-12-4-5-15-14(9-12)21-17-20-13(6-8-22(15)17)16(23)19-11-3-2-7-18-10-11/h2-10H,1H3,(H,19,23).
What are the key properties of 8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-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 8-methoxy-N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).