4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide

C16H22N6O — CID 170511269

IUPAC4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1cn[nH]c1)C1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C16H22N6O/c23-16(19-6-5-12-9-20-21-10-12)13-1-3-14(4-2-13)22-15-11-17-7-8-18-15/h7-11,13-14H,1-6H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyZXWNONZKRNCUCA-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.53
Rot. Bonds6

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

4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 170511269) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID170511269
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1cn[nH]c1)C1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C16H22N6O/c23-16(19-6-5-12-9-20-21-10-12)13-1-3-14(4-2-13)22-15-11-17-7-8-18-15/h7-11,13-14H,1-6H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyZXWNONZKRNCUCA-UHFFFAOYSA-N
XLogP1.53
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide (CID 170511269) is 4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide is O=C(NCCc1cn[nH]c1)C1CCC(Nc2cnccn2)CC1.
What is the InChIKey of 4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is ZXWNONZKRNCUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c23-16(19-6-5-12-9-20-21-10-12)13-1-3-14(4-2-13)22-15-11-17-7-8-18-15/h7-11,13-14H,1-6H2,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazin-2-ylamino)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 170511269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).