N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide

C18H20N4O3 — CID 127043861

IUPACN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1ccccn1)n(C)c(=O)n2C
InChIInChI=1S/C18H20N4O3/c1-11(2)25-16-10-15-14(21(3)18(24)22(15)4)9-13(16)20-17(23)12-7-5-6-8-19-12/h5-11H,1-4H3,(H,20,23)
InChIKeyWSXQKXWLZKPBRR-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.31
Rot. Bonds4

About N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide

N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide (PubChem CID 127043861) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide
PubChem CID127043861
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide
SMILESCC(C)Oc1cc2c(cc1NC(=O)c1ccccn1)n(C)c(=O)n2C
InChIInChI=1S/C18H20N4O3/c1-11(2)25-16-10-15-14(21(3)18(24)22(15)4)9-13(16)20-17(23)12-7-5-6-8-19-12/h5-11H,1-4H3,(H,20,23)
InChIKeyWSXQKXWLZKPBRR-UHFFFAOYSA-N
XLogP2.31
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide (CID 127043861) is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide is CC(C)Oc1cc2c(cc1NC(=O)c1ccccn1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide?
The InChIKey is WSXQKXWLZKPBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(2)25-16-10-15-14(21(3)18(24)22(15)4)9-13(16)20-17(23)12-7-5-6-8-19-12/h5-11H,1-4H3,(H,20,23).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide?
N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 127043861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).