N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide

C18H24N4OS — CID 136586271

IUPACN-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
SMILESCc1ccsc1CCNC(=O)C1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C18H24N4OS/c1-13-7-11-24-16(13)6-8-21-18(23)14-2-4-15(5-3-14)22-17-12-19-9-10-20-17/h7,9-12,14-15H,2-6,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyPFIRPYQIOYTXMD-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide

N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 136586271) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
PubChem CID136586271
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
SMILESCc1ccsc1CCNC(=O)C1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C18H24N4OS/c1-13-7-11-24-16(13)6-8-21-18(23)14-2-4-15(5-3-14)22-17-12-19-9-10-20-17/h7,9-12,14-15H,2-6,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyPFIRPYQIOYTXMD-UHFFFAOYSA-N
XLogP3.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide (CID 136586271) is N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide is Cc1ccsc1CCNC(=O)C1CCC(Nc2cnccn2)CC1.
What is the InChIKey of N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is PFIRPYQIOYTXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-7-11-24-16(13)6-8-21-18(23)14-2-4-15(5-3-14)22-17-12-19-9-10-20-17/h7,9-12,14-15H,2-6,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 136586271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).