6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide

C23H29N5O2 — CID 46968531

IUPAC6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)cc1C
InChIInChI=1S/C23H29N5O2/c1-4-18-15(2)12-17(23(30)26-18)22(29)24-16-8-9-20-19(13-16)25-21(27(20)3)14-28-10-6-5-7-11-28/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,24,29)(H,26,30)
InChIKeyUPWLSWAYFVKFBR-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.37
Rot. Bonds5

About 6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide

6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 46968531) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID46968531
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)cc1C
InChIInChI=1S/C23H29N5O2/c1-4-18-15(2)12-17(23(30)26-18)22(29)24-16-8-9-20-19(13-16)25-21(27(20)3)14-28-10-6-5-7-11-28/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,24,29)(H,26,30)
InChIKeyUPWLSWAYFVKFBR-UHFFFAOYSA-N
XLogP3.37
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 46972152
2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide
CID 46972380
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 92589506
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611214
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 46968531) is 6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide is CCc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)cc1C.
What is the InChIKey of 6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UPWLSWAYFVKFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-4-18-15(2)12-17(23(30)26-18)22(29)24-16-8-9-20-19(13-16)25-21(27(20)3)14-28-10-6-5-7-11-28/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,24,29)(H,26,30).
What are the key properties of 6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide?
6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46968531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).