N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide

C16H11N5O2 — CID 126617760

IUPACN-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C16H11N5O2/c22-14-6-5-10(9-17-14)18-15(23)12-7-8-21-13-4-2-1-3-11(13)19-16(21)20-12/h1-9H,(H,17,22)(H,18,23)
InChIKeyGXPJTDHOYGPISD-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.82
Rot. Bonds2

About N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide

N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617760) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617760
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC NameN-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]c1)c1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C16H11N5O2/c22-14-6-5-10(9-17-14)18-15(23)12-7-8-21-13-4-2-1-3-11(13)19-16(21)20-12/h1-9H,(H,17,22)(H,18,23)
InChIKeyGXPJTDHOYGPISD-UHFFFAOYSA-N
XLogP1.82
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617760) is N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide is O=C(Nc1ccc(=O)[nH]c1)c1ccn2c(n1)nc1ccccc12.
What is the InChIKey of N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is GXPJTDHOYGPISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c22-14-6-5-10(9-17-14)18-15(23)12-7-8-21-13-4-2-1-3-11(13)19-16(21)20-12/h1-9H,(H,17,22)(H,18,23).
What are the key properties of N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).