5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide

C22H26N6O2 — CID 91925612

IUPAC5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCc2nc3ccccc3n2C)cn1
InChIInChI=1S/C22H26N6O2/c1-14-12-25-18(13-24-14)22(30)27-16-8-5-6-15(16)21(29)23-11-10-20-26-17-7-3-4-9-19(17)28(20)2/h3-4,7,9,12-13,15-16H,5-6,8,10-11H2,1-2H3,(H,23,29)(H,27,30)/t15-,16+/m0/s1
InChIKeyHKJOTEWMAICRRE-JKSUJKDBSA-N
MW406.49 g/mol
LogP1.93
Rot. Bonds6

About 5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide

5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide (PubChem CID 91925612) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide
PubChem CID91925612
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCc2nc3ccccc3n2C)cn1
InChIInChI=1S/C22H26N6O2/c1-14-12-25-18(13-24-14)22(30)27-16-8-5-6-15(16)21(29)23-11-10-20-26-17-7-3-4-9-19(17)28(20)2/h3-4,7,9,12-13,15-16H,5-6,8,10-11H2,1-2H3,(H,23,29)(H,27,30)/t15-,16+/m0/s1
InChIKeyHKJOTEWMAICRRE-JKSUJKDBSA-N
XLogP1.93
TPSA101.80 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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide
CID 91925585
1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
CID 154903685
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 71710226
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
CID 91925573
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
(3R)-1-(2-methoxyacetyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97116576
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 124590456

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide (CID 91925612) is 5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCc2nc3ccccc3n2C)cn1.
What is the InChIKey of 5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide?
The InChIKey is HKJOTEWMAICRRE-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-14-12-25-18(13-24-14)22(30)27-16-8-5-6-15(16)21(29)23-11-10-20-26-17-7-3-4-9-19(17)28(20)2/h3-4,7,9,12-13,15-16H,5-6,8,10-11H2,1-2H3,(H,23,29)(H,27,30)/t15-,16+/m0/s1.
What are the key properties of 5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide?
5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91925612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).