N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide

C17H13N5O2 — CID 126617700

IUPACN-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCn1cc(NC(=O)c2ccn3c(n2)nc2ccccc23)ccc1=O
InChIInChI=1S/C17H13N5O2/c1-21-10-11(6-7-15(21)23)18-16(24)13-8-9-22-14-5-3-2-4-12(14)19-17(22)20-13/h2-10H,1H3,(H,18,24)
InChIKeySKACRRZEACFPRX-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.83
Rot. Bonds2

About N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide

N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617700) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617700
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCn1cc(NC(=O)c2ccn3c(n2)nc2ccccc23)ccc1=O
InChIInChI=1S/C17H13N5O2/c1-21-10-11(6-7-15(21)23)18-16(24)13-8-9-22-14-5-3-2-4-12(14)19-17(22)20-13/h2-10H,1H3,(H,18,24)
InChIKeySKACRRZEACFPRX-UHFFFAOYSA-N
XLogP1.83
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617700) is N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide is Cn1cc(NC(=O)c2ccn3c(n2)nc2ccccc23)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is SKACRRZEACFPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-21-10-11(6-7-15(21)23)18-16(24)13-8-9-22-14-5-3-2-4-12(14)19-17(22)20-13/h2-10H,1H3,(H,18,24).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).