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

C19H22N4O4 — CID 127044040

IUPACN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide
SMILESCOc1cccnc1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C
InChIInChI=1S/C19H22N4O4/c1-11(2)27-16-10-14-13(22(3)19(25)23(14)4)9-12(16)21-18(24)17-15(26-5)7-6-8-20-17/h6-11H,1-5H3,(H,21,24)
InChIKeyMYMKBKBDJSJFNV-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.32
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide (PubChem CID 127044040) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide
PubChem CID127044040
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide
SMILESCOc1cccnc1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C
InChIInChI=1S/C19H22N4O4/c1-11(2)27-16-10-14-13(22(3)19(25)23(14)4)9-12(16)21-18(24)17-15(26-5)7-6-8-20-17/h6-11H,1-5H3,(H,21,24)
InChIKeyMYMKBKBDJSJFNV-UHFFFAOYSA-N
XLogP2.32
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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)-3-methoxypyridine-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide (CID 127044040) is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide is COc1cccnc1C(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide?
The InChIKey is MYMKBKBDJSJFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11(2)27-16-10-14-13(22(3)19(25)23(14)4)9-12(16)21-18(24)17-15(26-5)7-6-8-20-17/h6-11H,1-5H3,(H,21,24).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide?
N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 127044040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).