N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide

C16H11N5O2 — CID 135399422

IUPACN-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(=O)[nH]c2nc3ccccc3n12)c1cccnc1
InChIInChI=1S/C16H11N5O2/c22-14-8-13(19-15(23)10-4-3-7-17-9-10)21-12-6-2-1-5-11(12)18-16(21)20-14/h1-9H,(H,19,23)(H,18,20,22)
InChIKeyLXOLAWOJIARMRL-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.82
Rot. Bonds2

About N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide

N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide (PubChem CID 135399422) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide
PubChem CID135399422
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC NameN-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(=O)[nH]c2nc3ccccc3n12)c1cccnc1
InChIInChI=1S/C16H11N5O2/c22-14-8-13(19-15(23)10-4-3-7-17-9-10)21-12-6-2-1-5-11(12)18-16(21)20-14/h1-9H,(H,19,23)(H,18,20,22)
InChIKeyLXOLAWOJIARMRL-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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Related Compounds

N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide
CID 90045404
(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone
CID 74890600
N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
CID 39965447
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110712108
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39669326
N-(6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 110724902
N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 135963145
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
N-[1-[1-(2-cyanoacetyl)piperidin-4-yl]benzimidazol-2-yl]pyridine-3-carboxamide
CID 90045127
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 135472235
N-[2-(2-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-4-carboxamide
CID 135399414

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide (CID 135399422) is N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide is O=C(Nc1cc(=O)[nH]c2nc3ccccc3n12)c1cccnc1.
What is the InChIKey of N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide?
The InChIKey is LXOLAWOJIARMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c22-14-8-13(19-15(23)10-4-3-7-17-9-10)21-12-6-2-1-5-11(12)18-16(21)20-14/h1-9H,(H,19,23)(H,18,20,22).
What are the key properties of N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide?
N-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-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-(2-oxo-1H-pyrimido[1,2-a]benzimidazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 135399422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).