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

C19H24N4O2 — CID 138026646

IUPACN-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
SMILESO=C(NCCc1cccc(O)c1)C1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C19H24N4O2/c24-17-3-1-2-14(12-17)8-9-22-19(25)15-4-6-16(7-5-15)23-18-13-20-10-11-21-18/h1-3,10-13,15-16,24H,4-9H2,(H,21,23)(H,22,25)
InChIKeyRCFKTXCMGGWMLT-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.51
Rot. Bonds6

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

N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 138026646) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
PubChem CID138026646
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
SMILESO=C(NCCc1cccc(O)c1)C1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C19H24N4O2/c24-17-3-1-2-14(12-17)8-9-22-19(25)15-4-6-16(7-5-15)23-18-13-20-10-11-21-18/h1-3,10-13,15-16,24H,4-9H2,(H,21,23)(H,22,25)
InChIKeyRCFKTXCMGGWMLT-UHFFFAOYSA-N
XLogP2.51
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 170511269
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 136586585
N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136578446
N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 136587686
2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109165237
(2S,4S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634745
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
N-[2-(3-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510860
1-[2-(3-bromophenyl)ethyl]-3-pyrazin-2-ylurea
CID 108893891
formic acid;3-hydroxy-N-[(1R,2R,5S)-2-hydroxy-5-(2-pyridin-3-ylethylcarbamoyl)cyclohexyl]benzamide
CID 163341655
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide (CID 138026646) is N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide is O=C(NCCc1cccc(O)c1)C1CCC(Nc2cnccn2)CC1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is RCFKTXCMGGWMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-17-3-1-2-14(12-17)8-9-22-19(25)15-4-6-16(7-5-15)23-18-13-20-10-11-21-18/h1-3,10-13,15-16,24H,4-9H2,(H,21,23)(H,22,25).
What are the key properties of N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide?
N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 138026646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).