N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

C24H31N5O3 — CID 172673603

IUPACN-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)c3c(C)ccn(C4CCNCC4)c3=O)c(C)cc21
InChIInChI=1S/C24H31N5O3/c1-5-27-19-13-16(4)18(14-20(19)28(6-2)24(27)32)26-22(30)21-15(3)9-12-29(23(21)31)17-7-10-25-11-8-17/h9,12-14,17,25H,5-8,10-11H2,1-4H3,(H,26,30)
InChIKeyAQVDDXZVKDPJOV-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.80
Rot. Bonds5

About N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 172673603) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
PubChem CID172673603
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)c3c(C)ccn(C4CCNCC4)c3=O)c(C)cc21
InChIInChI=1S/C24H31N5O3/c1-5-27-19-13-16(4)18(14-20(19)28(6-2)24(27)32)26-22(30)21-15(3)9-12-29(23(21)31)17-7-10-25-11-8-17/h9,12-14,17,25H,5-8,10-11H2,1-4H3,(H,26,30)
InChIKeyAQVDDXZVKDPJOV-UHFFFAOYSA-N
XLogP2.80
TPSA90.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (CID 172673603) is N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is CCn1c(=O)n(CC)c2cc(NC(=O)c3c(C)ccn(C4CCNCC4)c3=O)c(C)cc21.
What is the InChIKey of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is AQVDDXZVKDPJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-5-27-19-13-16(4)18(14-20(19)28(6-2)24(27)32)26-22(30)21-15(3)9-12-29(23(21)31)17-7-10-25-11-8-17/h9,12-14,17,25H,5-8,10-11H2,1-4H3,(H,26,30).
What are the key properties of N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 172673603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).