N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide

C19H28N4O2 — CID 91925582

IUPACN-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C19H28N4O2/c1-13-11-21-17(12-20-13)19(25)23-16-10-6-9-15(16)18(24)22-14-7-4-2-3-5-8-14/h11-12,14-16H,2-10H2,1H3,(H,22,24)(H,23,25)/t15-,16+/m0/s1
InChIKeyMIQAASRVPLBXQW-JKSUJKDBSA-N
MW344.46 g/mol
LogP2.52
Rot. Bonds4

About N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide

N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide (PubChem CID 91925582) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
PubChem CID91925582
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C19H28N4O2/c1-13-11-21-17(12-20-13)19(25)23-16-10-6-9-15(16)18(24)22-14-7-4-2-3-5-8-14/h11-12,14-16H,2-10H2,1H3,(H,22,24)(H,23,25)/t15-,16+/m0/s1
InChIKeyMIQAASRVPLBXQW-JKSUJKDBSA-N
XLogP2.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.52
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-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide (CID 91925582) is N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC2CCCCCC2)cn1.
What is the InChIKey of N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is MIQAASRVPLBXQW-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-11-21-17(12-20-13)19(25)23-16-10-6-9-15(16)18(24)22-14-7-4-2-3-5-8-14/h11-12,14-16H,2-10H2,1H3,(H,22,24)(H,23,25)/t15-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(cycloheptylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 91925582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).