N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide

C21H26N4O2 — CID 91925597

IUPACN-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C21H26N4O2/c1-13-7-8-16(9-14(13)2)11-24-20(26)17-5-4-6-18(17)25-21(27)19-12-22-15(3)10-23-19/h7-10,12,17-18H,4-6,11H2,1-3H3,(H,24,26)(H,25,27)/t17-,18+/m0/s1
InChIKeyJVEZOUANEBMEGV-ZWKOTPCHSA-N
MW366.47 g/mol
LogP2.62
Rot. Bonds5

About N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide

N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide (PubChem CID 91925597) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide
PubChem CID91925597
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C21H26N4O2/c1-13-7-8-16(9-14(13)2)11-24-20(26)17-5-4-6-18(17)25-21(27)19-12-22-15(3)10-23-19/h7-10,12,17-18H,4-6,11H2,1-3H3,(H,24,26)(H,25,27)/t17-,18+/m0/s1
InChIKeyJVEZOUANEBMEGV-ZWKOTPCHSA-N
XLogP2.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide (CID 91925597) is N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCc2ccc(C)c(C)c2)cn1.
What is the InChIKey of N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is JVEZOUANEBMEGV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13-7-8-16(9-14(13)2)11-24-20(26)17-5-4-6-18(17)25-21(27)19-12-22-15(3)10-23-19/h7-10,12,17-18H,4-6,11H2,1-3H3,(H,24,26)(H,25,27)/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide?
N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(3,4-dimethylphenyl)methylcarbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 91925597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).