N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

C21H27Cl2N5O2 — CID 172910405

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)NC(C)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C21H25N5O2.2ClH/c1-13-9-12-26(15-7-10-22-11-8-15)21(28)18(13)20(27)23-14(2)19-24-16-5-3-4-6-17(16)25-19;;/h3-6,9,12,14-15,22H,7-8,10-11H2,1-2H3,(H,23,27)(H,24,25);2*1H
InChIKeySLUCGCFXGSDFGE-UHFFFAOYSA-N
MW452.39 g/mol
LogP3.29
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 172910405) has the molecular formula C21H27Cl2N5O2 and a molecular weight of 452.39 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID172910405
Molecular FormulaC21H27Cl2N5O2
Molecular Weight452.39 g/mol
Exact Mass451.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)NC(C)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C21H25N5O2.2ClH/c1-13-9-12-26(15-7-10-22-11-8-15)21(28)18(13)20(27)23-14(2)19-24-16-5-3-4-6-17(16)25-19;;/h3-6,9,12,14-15,22H,7-8,10-11H2,1-2H3,(H,23,27)(H,24,25);2*1H
InChIKeySLUCGCFXGSDFGE-UHFFFAOYSA-N
XLogP3.29
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.39
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(1-ethylbenzimidazol-2-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 175643277
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride
CID 172909927
4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172910810
4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 172672451
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 55471878
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172674256
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172657373
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 25373344
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (CID 172910405) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)NC(C)c1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is SLUCGCFXGSDFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2.2ClH/c1-13-9-12-26(15-7-10-22-11-8-15)21(28)18(13)20(27)23-14(2)19-24-16-5-3-4-6-17(16)25-19;;/h3-6,9,12,14-15,22H,7-8,10-11H2,1-2H3,(H,23,27)(H,24,25);2*1H.
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 452.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 172910405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).