1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C22H26N6O2 — CID 55967771

IUPAC1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCCc1nc2ccccc2n1CC(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C22H26N6O2/c1-2-19-26-17-7-3-4-8-18(17)28(19)14-21(29)25-16-9-10-20(24-12-16)27-11-5-6-15(13-27)22(23)30/h3-4,7-10,12,15H,2,5-6,11,13-14H2,1H3,(H2,23,30)(H,25,29)
InChIKeyIVGMOCSUPWPHJB-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.33
Rot. Bonds6

About 1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55967771) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55967771
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCCc1nc2ccccc2n1CC(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C22H26N6O2/c1-2-19-26-17-7-3-4-8-18(17)28(19)14-21(29)25-16-9-10-20(24-12-16)27-11-5-6-15(13-27)22(23)30/h3-4,7-10,12,15H,2,5-6,11,13-14H2,1H3,(H2,23,30)(H,25,29)
InChIKeyIVGMOCSUPWPHJB-UHFFFAOYSA-N
XLogP2.33
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701217
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 55970974
N-[6-(diethylamino)-3-pyridinyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55784403
1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971095
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700880
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970200
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55970967

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55967771) is 1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is CCc1nc2ccccc2n1CC(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1.
What is the InChIKey of 1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is IVGMOCSUPWPHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-2-19-26-17-7-3-4-8-18(17)28(19)14-21(29)25-16-9-10-20(24-12-16)27-11-5-6-15(13-27)22(23)30/h3-4,7-10,12,15H,2,5-6,11,13-14H2,1H3,(H2,23,30)(H,25,29).
What are the key properties of 1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55967771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).